Acta Crystallographica Section A
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FOUNDATIONS
ADVANCES

Volume 79| Part a1

ISSN: 2053-2733

July 2023 issue

Abstracts of the 2023 American Crystallographic Association Meeting

Baltimore, Maryland, USA, 7 - 11 July 2023

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abstracts

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Disruption of a key hydrogen-bond network dissociates glucocorticoid receptor-mediated drug efficacy from side effects for anti-inflammation treatment

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The National Center for Cryo-EM Access and Training – establishing a cross-facility accepted training curriculum

E. Eng, E. Kopylov, C. Dubbeldam, C. Castello and C. Zimanyi

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Analysis of Hasse diagrams of crystallographic point groups determines surprising crystal system relationships

M. M. Julian and M. Macauley

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In situ refinement restraints from quantum mechanical methods

N. W. Moriarty, D. C. Liebschner, B. K. Poon and P. D. Adams

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Combining techniques for increased accuracy of crystal structures from powder diffraction data

D. Sisak Jung, S. Lukin and I. Halasz

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Structural basis of DNA binding by the NAC transcription factor ORE1, a master regulator of plant senescence

I. Chun, H. J. Kim, S. Hong, Y.-G. Kim and M.-S. Kim

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Optimizing the dynamic pair distribution function method for inelastic neutron spectrometry of polycrystalline Ni

K. A. Acosta, H. C. Walker and A. M. Fry-Petit

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Synthesis and structural investigation of novel barium molybdenum hollandite structures

E. E. Elbakry and J. M. Allred

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Teaching the reciprocal lattice

C. Slebodnick, M. M. Julian and F. T. Julian

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Think, pair, share: insight into electronic structure from single-crystal structures of redox-active ligands

S. W. Anferov, L. E. McNamara, A. S. Filatov and J. S. Anderson

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How can we use intermolecular interactions in crystals? Lattice energies, predicting crystal growth and more…

P. R. Spackman, M. A. Spackman and J. D. Gale

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Computational protein engineering for systematic enhancement of crystallization propensity

N. E. Banayan, B. Loughlin, S. Singh, F. F Forouhar and J. F. Hunt

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Characterization of a putative periplasmic cystine binding protein from Candidatus Liberibacter asiaticus

A. K. Sharma, P. Kumar, P. Kesari, S. Kokane, D. K. Ghosh and P. Kumar

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PyHyperScattering: a collaborative framework for highly multidimensional scattering dataset loading, reduction, analysis and display

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Crystal growth and physical properties of EuIr₃Si₇ single crystal

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Combined structural, spectroscopic, electrochemical and magnetic study of nickel(II) pyrazolates: dinuclear [Ni₂], linear [Ni₃] and triangular [Ni₃] incorporating five-/six-coordinate Ni²⁺ ions

Z. Shi, I. Chakraborty, Y. Sanakis and R. G. Raptis

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Novel manganese halide 2D, 1D and 0D frameworks and their emission properties

M. O. Ozide, R. Gonzales, T. Timofeeva and R. L. Castaneda

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The temperature-dependent activity and structural changes of enzymes revealed using multi-temperature crystallography

M. J. McLeod, S. Barwell, T. Holyoak and R. Thorne

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Structural and functional divergence of a 'new' class of phosphoenolpyruvate carboxykinase – insights into allosteric regulation via oligomeric changes

M. J. McLeod, S. Balamurali, R. Thorne and T. Holyoak

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X-ray restrained wavefunction approach: latest achievements and future challenges

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High-throughput small-angle X-ray scattering (HT-SAXS) pipeline for lipid nanoparticle (LNP) development on the SIBYLS beamline

L. J. Kim, M. Hammel and G. L. Hura

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Resolving phospholipase C regulation

I. J. Fisher, K. Muralidharan, K. Outlaw and E. Garland-Kuntz

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Exploring the limits of 2D template matching for detecting targets in cellular cryo-EM images

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Refinement of crystal structures at ultralow resolution with assistance from AlphaFold modeling and Rosetta optimization

W. Wang and W. A. Hendrickson

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Crystal structures of large-volume commercial pharmaceuticals

J. A. Kaduk, T. M. Ens, N. C. Boaz, A. V. Dosen and T. N. Blanton

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Structural basis for the viral hijacking of phosphoribosylformylglycinamidine synthase

Nandini and J. B. French

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Career biography for participation as a panelist in the 'Career Odysseys' session

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GSAS-II in 2023

B. H. Toby and R. B. Von Dreele

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Solution characterization of the dynamic conjugative entry exclusion protein TraG

N. J. Bragagnolo and G. F. Audette

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Variational inference for scaling unconventional diffraction data

K. M. Dalton, J. B. Griesman and D. R. Hekstra

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Structural and functional studies on an F-like type IV secretion system protein TrbB

A. Apostol and G. F. Audette

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Materials discovery through machine learning: experimental validation and interpretable models

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Efficient tagging of endogenous proteins in human cell lines for structural studies by single-particle cryo-EM

W. Choi, H. Wu, K. Yserentant, B. Huang and Y. Cheng

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Towards the structural analysis of an F-plasmid protein, TraW

C. Rodriguez and G. Audette

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Understanding physical and chemical interactions deriving polymer–metal–organic framework gel formation for drug delivery

P. Verma, M. Bannon, M. Kuenen, R. Letten and G. Giri

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Redox-coupled structural distortions in quasi-1-dimensional Au₂MP₂ (M = Tl, Pb and Bi)

S. B. Lee, J. W. Stiles, F. Yuan, S. R. Dulovic, T. Chang, Y.-S. Chen and L. M. Schoop

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My cryo-EM path to Genentech

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Predicting chemical shifts with graph neural networks

Z. Yang, M. Chakraborty and A. White

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Cryofast: automated cryo-electron microscopy data acquisition using machine learning

E. Gray, D. Lyumkis, A. Mehrani and N. Kumar

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A general method for the structure determination of amorphous drugs by NMR

M. Cordova, P. Moutzouri, S. O. Nilsson Lill, A. Cousen, M. Kearns, S. T. Norberg, A. Svensk Ankarberg, J. McCabe, A. Pinon, S. Schantz and L. Emsley

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Assessing the value of small-molecule service crystallography in the face of advancing technology

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The dynamic side of crystals: how structure influences function in the solid state

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Resolving crystal selection processes during optical floating zone crystal growth – novel non-destructive synchrotron and software tools for rapid grain tracking

Y. Wang, S. Tao, J. J. Denney, L. A. Pressley, D. C. Lewczyk, S. K. Kushwaha, M. A. Khan, M. Topsakal, S. J. L. Billinge and P. G. Khalifah

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Metal–oxygen bond anisotropy and size effects scattering in V_1−xM_xO₂ (M = Nb, Mo)

J. F. Phillips, T. B. Rawot Chhetri, M. A. Davenport, T. C. Douglas, L. M. Whitt, S. Rosenkranz, R. Osborn, M. Krogstad and J. M. Allred

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C—H⋯O bonds involving Trp sidechain in protein structures

M. Szczygiel, W. Minor and Z. Derewenda

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Comparing ATAD2/B bromodomain structure–function differences in the dynamic epigenetic landscape

M. Phillips, I. A. Kressy, B. Boyle, J. C. Nix and K. C. Glass

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Determination of hydrogen atom position in Stryker's reagent through the application of quantum crystallographic methods on MicroED data

K. K. Jha and H. M. Nelson

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A magnetic excitation linking quasi-1D chevrel-type selenide and arsenide superconductors

T. Douglas, S. Chi, K. Taddei and J. Allred

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How to identify nonlinear optical crystals for THz generation

S. H. Ho, G. A. Valdivia-Berroeta, Z. B. Zaccardi, S. K. F. Pettit, B. W. Palmer, M. J. Lutz, C. Rader, B. P Hunter, N. K. Green, C. Barlow, C. Z. Wayment, D. J. Harmon, P. Petersen, S. J. Smith, D. J. Michaelis and J. A. Johnson

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Synthesis and characterization of potentially catalytic tolunitrile adducts of rhodium(II) acetate

M. O. Cope, C. T. Eagle and A. M. Beauparlant

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Structural insights into dibrominated 2,3-benzaldehyde compounds with potential as antioxidant agents in biodiesel

I. D. Borges, A. S. N. Aguiar, L. R. Almeida, G. Aguirre and H. B. Napolitano

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Quality assessment and biomolecular structure modeling for cryo-EM using deep learning

G. Terashi, X. Wang, T. Nakamura, D. K. Prasad and D. Kihara

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Structural genomics from inside biopharma and the future

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Solid-state form design in drug product development

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RNA crystal improvement with definitive screening designs

B. S. Venkataramany, F. A. Acquah, S. A. Aslam, C. W. Carter Jr and B. H. M. Mooers

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Visualization of the human manganese superoxide dismutase product inhibition mechanism and protonation states

J. Azadmanesh, K. Slobodnik, W. E. Lutz, L. Coates, K. L. Weiss, D. A. A. Myles, T. Kroll and G. E. O. Borgstahl

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Twenty years of the Structural Genomics Consortium: past achievements and future directions of an open science public–private partnership

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Molecular basis of acetylated lysine recognition by the Plasmodium falciparum bromodomain Protein 1

K. C. Glass, A. K. Singh, M. P. Vulikh, M. Phillips, M. Tonelli, K. L. Malone, S. Alkrimi and J. C. Nix

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Crystal structure of LGR ligand α2/β5 from Caenorhabditis elegans with implications for the evolution of glycoprotein hormones

Z. Gong, W. Wang, K. El Omari, A. A. Lebedev, O. B. Clarke and W. A. Hendrickson

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Structural resolution of H₂ and D₂ within metal–organic frameworks using neutron diffraction

H. Evans, D. Jamarillo, B. Barnett, J. Long, C. Brown and T. Yildirim

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Charge density analyses in polyimido sulfur ligands yield single-molecule magnets

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Machine learning-driven automated scanning probe microscopy

Y. Liu, R. Vasudevan, K. Kelley, M. Ziatdinov and S. Kalinin

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Structural basis for enzymatic terminal C—H bond functionalization of alkanes

Q. Liu, J. Chai, G. Guo, S. McSweeney and J. Shanklin

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Catena structures formed by Li⁺ with the TCNQF₄⁻ radical anion or with dianionic diamagnetic TCNQF₄²⁻: comparison to Cu^I(TCNQX₄) compounds (X = H, F, Cl)

L. R. Falvello, S. Šterbinská and M. Tomás

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Challenges and capabilities of quantum crystallography for locating hydrogen atoms in transition metal hydrides

M. Woińska, S. Pawlędzio, A. A. Hoser, M. L. Chodkiewicz and K. Woźniak

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High throughput for high-resolution cryo-electron tomography

S. Zheng, Y. Cheng and D. Agard

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In situ structures of secretins from bacterial type II secretion system reveal their membrane interactions and translocation process

Z. Yu, M. Chen, T. Huo, S. J. Ludtke and Z. Wang

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Solving 3D nanostructures using ptychographic atomic electron tomography

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Crystal structure determination of small molecules by 3D ED/MicroED

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Probing the atomically diffuse interfaces in core–shell nanoparticles in three dimensions

Z. Li, Z. Xie, Y. Zhang, X. Mu, J. Xie, H.-J. Yin, Y.-W. Zhang, C. Ophus and J. Zhou

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Operations of the National Crystallization Center: two decades of high-throughput crystallization efforts fueled by structural genomics

G. R. Budziszewski, T. R. Wright, M. E. Snell, M. L. Lynch and S. E. J. Bowman

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Time-resolved total scattering using MeV electrons

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Allosteric activation of choanoflagellate soluble guanylate cyclases

W. C. Thomas, Y. Wu and M. A. Marletta

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When is PXRD data good enough, or when should I stop trying to resolve those tiny peaks out of the baseline?

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Novel nickel(II) complex with a thiosemicarbazide: synthesis, structure and noncovalent interactions

G. Jones Lima and C. C. Gatto

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Complex host structures and phase transitions in fast-charging lithium-ion battery anodes from diffraction and complementary techniques

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A tool for automating the repetitive part of PXRD user reports

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Structure of a 10-23 deoxyribozyme captured in a precatalytic state

E. R. Cramer, S. A. Starcovic and A. R. Robart

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Structure determination of nanocrystalline metal–organic frameworks by MicroED

C. Jandl, J. Merkelbach, G. Steinfeld, D. Stam, S. Schegk and E. Hovestreydt

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Identifying metal redox states through low dose measurements for spatially resolved anomalous dispersion refinement

F. Lennartz, J.-H. Jeoung, H. Dobbek and M. Weiss

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Current status of serial crystallography on Spring-8 MX beamlines

K. Hirata, H. Matsuura, Y. Kawano, N. Sakai, K. Hasegawa, T. Kumasaka and M. Yamamoto

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A perfect liaison: combining MicroED with PXRD

J. Merkelbach, C. Jandl, D. Stam and S. Schegk

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Semi- and self-supervised approaches to space group and Bravais lattice determination

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The structural study of La_0.9Sr_0.1Co_1−xFe_xO_3−Δ through in situ neutron and synchrotron diffraction

A. M. Fry-Petit and D. Nguyen

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Hiding in plain sight: distilling protein–ligand hotspots from hundreds of Hsp90 crystal structures

T. R. Stachowski and M. Fischer

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Visualizing protonation states in serine hydroxymethyltransferase with neutron crystallography

V. N. Drago, C. Campos, M. Hooper, A. Collins, O. Gerlits, K. L. Weiss, M. P. Blakeley, R. S. Phillips and A. Kovalevsky

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Fragment-based screening approach reveals non-orthosteric pockets in the search for allosteric inhibitors of tau-tubulin kinase 1

R. P. Hayes, E. DiNunzio, M. Yazdani, J. Sikorska, Y. Chen, S. Tyagarajan, Y. Park, A. Lee, C. Reyes, D. Burschowsky, M. Zebisch, Y. Ou, M. Bukhtiyarova, S. Niroomand, Y. Tian, S. Stachel, H. Su, J. D. Hicks and D. F. Wyss

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Integration of structural science to broaden the participation of diverse learners in STEM

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Utilizing data-driven tools to investigate the relative stability of solid forms

J. W. Lengyel and G. Sadiq

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Combined atomic pair distribution function and EXAFS analysis of local structural study of MoTe₂

S. Khadka, B. Freelon, L. Gallington, Y.-C. Shao and M. Abeykoon

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Structural and spectroscopic investigations of metal-bound rubrerythrin from Burkholderia pseudomallei

S. E. J. Bowman, G. R. Budziszewski, M. E. Snell, T. R. Wright, M. L. Lynch and D. C. F. Monteiro

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X-ray scattering tomography for visualizing cellulose in plants

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Current status of Pt-based 1D solids: structures, photoluminescence and electrical conductivity

N. N. Gerasimchuk

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Where the H is the interstitial: single-crystal neutron diffraction studies of complex metal hydrides

C. Hoffmann, X. Wang and S. E. Latturner

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Virtual reality as a thinking tool for structural investigation

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Exceptionally large magnetovolume effect in MnTe driven by a novel magnetostructural coupling mechanism

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Crystal structure of human interleukin-2 in complex with TCB2, a new antibody-drug candidate with antitumor activity

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Data management and data validation best practices from the perspective of a data repository

M. P. Lightfoot, I. J. Bruno, N. T. Johnson, Y. Olatunji-Ojo and S. C. Ward

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Watching the release of a photopharmacological drug from its target using time-resolved serial crystallography

T. Weinert, M. Wranik, M. O. Steinmetz and J. Standfuss

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Planning for the future of crystallographic raw data and its metadata

H. J. Bernstein and F. C. Bernstein

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Cryo-EM structures of the DEAH-box helicase DHX36 reveal the initiation of unwinding DNA and RNA G-quadruplexes

M. T. Banco, T. Paul, J. Jiang, S. Myong and A. R. Ferre-D'Amaré

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Structural intermediates of phenylalanine hydroxylase revealed by disruption of a key intramolecular interaction

K. Gupta, Y. Mustafa, M. Reuter, E. Arturo, G. Merkel and E. Jaffe

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Time-resolved reciprocal-space mapping of ferroelectric perovskites under an alternating electric field

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Machine-learning assisted automation of single-crystal neutron diffraction

Y. Hao, E. Feng, D. Lu, L. Zimmer, Z. Morgan, B. C. Chakoumakos, G. Zhang and H. Cao

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Atomic-level determinants of SARS-Cov-2 spike trafficking during infection and vaccination

D. Dey, S. Singh, E. Qing, Y. He, Y. Chen, B. Jennings, W. Cohn, L. Gakhar, N. J. Schnicker, B. G. Pierce, J. P. Whitelegge, B. Doray, J. P. Orban, T. Gallagher and S. S. Hasan

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RS-MT_Dock: movable-type ligand docking method using X-ray/cryo-EM experimental density and integrated QM/MM real-space refinement for drug design

O. Y. Borbulevych and L. M. Westerhoff

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Strategies to find low-occupancy ligands in a protein–peptide crystal

D. J. Sowa and S. N. Andres

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Reliability and reproducibility of the determination of physical effects from X-ray constrained wavefunction fitting

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Encapsulated nanodroplet crystallisation of small molecules (ENaCt): high-throughput small-scale crystallisation methods direct to single-crystal XRD

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'I can't do that, Dave': machine-learning language in scientific publications

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In situ studies of molecular copper compounds for highly selective purification of ethylene

P. W. Stephens, R. H. V. Dias and A. A. Yakovenko

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Cryo-EM structure of a voltage-gated potassium channel Kv3.1 in complex with a novel potentiator reveals a new binding site suggesting the mechanism of action

Y.-T. Chen, M. R. Heo, X.-J. Zhan, J. Kostas, Y. Li, R. Kraus, V. Santarelli, Y. Gomez-Llorente, D. Klein, A. Ginnetti, M. Marino, S. Stachel and A. Ishchenko

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Pursuing accurate crystallography without diffraction – NMR crystallography

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Growth of the PDB archive requires transition to PDBx/mmCIF format files

S. Ghosh, Z. Feng, Y. Liang, E. Peisach, I. Persikova, C. Shao, J. Y. Young, wwPDB Team and S. K. Burley

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Validation and quality assessment for small-molecule ligands in the Protein Data Bank

C. Shao, J. Y. Young, C. Bhikadiya, E. Peisach, J. M. Duarte, Y. Rose, Z. Feng, wwPDB Team and S. K. Burley

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Ruthenium crystallography for the connoisseur: a molecular rearrangement, spontaneous resolution, and a disappearing polymorph

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The importance of crystal structure prediction for developing drug molecules

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Redefining the characterization paradigm of RNA lipid nanoparticles

S. J. Shepherd, M. S. Padilla, K. Gupta, D. Issadore and M. J. Mitchell

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Solving the magnetic structures in the complex in-field phase diagram of YMn₆Sn_6−xGe_x using single-crystal neutron diffraction

R. L. Dally, H. Bhandari, P. E. Siegfried, R. Regmi, K. C. Rule, S. Chi, I. I. Mazin, J. W. Lynn and N. J. Ghimire

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MicroED for metabolomics

S. M. Powell, I. V. Novikova and J. E. Evans

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Transitioning from academia to a cryo-EM CRO

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Understanding how the Pel polysaccharide is modified for use in the Pseudomonas aeruginosa biofilm

J. C. Van Loon, F. Le Mauff, E. N. Kitova, S. Gilbert, M. A. Vargas, E. Razvi, J. S. Klassen, D. C. Sheppard and P. L. Howell

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Continuous electron diffraction tomography with Gatan electron counting cameras and Latitude D

S. Gulati and A. Pakzad

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Non-covalent interactions and morphologies as tools for structure-driven informatics: rationalizing the behavior of ionic liquids

P. C. Hillesheim, A. Mirjafari, M. Zeller, S. Bellia and M. Boucher

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A comprehensive strategy for efficient generation of well diffracting crystals

M. Senda and T. Senda

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A race against time: crystallization and characterization of berkelium and californium compounds

T. Albrecht-Schoenzart

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Probing pressure-driven protein phase behavior via in situ high-pressure scattering methods

B. Paul, S. C. M. Teixeira, E. M. Furst, A. M. Lenhoff and N. J. Wagner

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James Ibers, one of the pioneers of modern crystallography

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Structure of the catalytically active APOBEC3G bound to a DNA oligonucleotide inhibitor reveals tetrahedral geometry of the transition state

A. Maiti, A. K. Hedger, W. Myint, V. Balachandran, J. K. Watts, C. A. Schiffer and H. Matsuo

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Using X-ray footprinting to investigate dose rate effects on oxidative damage to proteins

S. Gupta, J. Inman, A. Snijders and C. Ralston

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Drug discovery targeting GTP metabolism for cancer and infectious diseases using X-ray crystallography and cryo-EM

T. Senda, K. Takeuchi and A. T. Sasaki

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The structure of the translating bacterial ribosome at 1.55 Å resolution

S. Fromm, K. M. O'Connor, M. Purdy, P. R. Bhatt, G. Longharn, J. F. Atkins, A. Jomaa and S. Mattei

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GPCR affecting fatty acid amide produced by non-ribosomal peptide synthetase cluster

J. Singh, S. Chamberlain, T. D. Grant and A. M. Gulick

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Alternate realities: searching for the optimal supercell approximate for incommensurately modulated profilin:actin crystals

J. J. Lovelace, A. M. M. Schreurs, L. M. J. Kroon-Batenburg and G. E. O. Borgstahl

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Growing the PDB Core Archive using ORCiD login for depositing 3D biostructures with OneDep

G. V. Crichlow, Z. Feng, Y. Liang, E. Peisach, I. Persikova, J. Y. Young, wwPDB Team and S. K. Burley

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Combining modern structural tools to solve a tough lithium tantalum oxide problem; MicroED, laboratory and synchrotron X-ray, and DFT

L. M. Daniels, J. A. Kaduk, J. D. Ferrara, W. Wong-Ng, A. P. Kafle and C. W. Scherry

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Interaction between JULGI and G-quadruplex: prominent factor of strategy for improving crop yield

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Xtalab Synergy-ED: single-crystal structures from powders

J. D. Ferrara, S. Bates, R. Bücker, M. Jasnowski, M. Meyer, F. White, S. Ito, A. Yamano, Y. Aoyama and E. Okunishi

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Zig-zag ground state and Kitaev interactions in the spin-1 honeycomb material KNiAsO₄

K. M. Taddei, O. Garlea, A. Samarakoon, D. Sanjeewa, J. Xing, T. Heitmann, C. dela Cruz, A. Sefat and D. Parker

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High-resolution structure determination at 100 kV enabled by new Falcon-C direct electron detector

A. Koh, W. Yang, D. Karia, L. Yu, J. Lengyel and A. Kotecha

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Fitting high-resolution electron-density maps from atomic models to solution scattering data

S. Chamberlain, J. Singh and T. Grant

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Expanding the crystallographer's toolbox

J. A. Newman, L. Iuzzolino, M. Tan and A. Lee

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Structural basis for anti-cancer activity of a novel metoxiflavona derivative from Strychnos pseudoquina

M. C. Silva, A. C. S. C. S. Menezes, J. H. Araujo-Neto and H. B. Napolitano

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CheckMyBlob – machine-learning based tool for ligand recognition and validation

J. Lenkiewicz, D. Brzezinski and W. Minor

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Using AlphaFold2 at SER-CAT for crystallographic analyses and function research

Z.-Q. Fu, Z. Jin, J. Chrza, M. Molitsky, J. Fait, J. Rose and B.-C. Wang

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From molecular to supramolecular to functional materials

V. Panikkattu, V. De Silvia and C. Aakeroy

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Structural basis of dsRNA recognition by the J2 monoclonal antibody

C. Bou-Nader, A. Bothra, I. Skeparnias, D. N. Garboczi, S. H. Leppla and J. Zhang

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Harnessing the power of structural data for solid form assessment – in partnership with the Crystal Form Consortium

G. Sadiq, J. Stevens, P. Martinez-Bulit and E. Pidcock

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Resolving correlated reaction pathways: a multimodal analytical toolkit

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Approximate symmetry in p2 and c2 organic structures

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Preservative-induced micelle formation of poloxamer 188

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Nanostructure transformation as a signature of oxygen redox in Li-rich cathodes

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Outstanding challenges for conformational heterogeneity analysis in single-particle cryo-EM

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Structure study of a new family of low-cost sodium-ion battery cathode

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Mosquito meets crystal

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Crystal structures of replication-linked RNAs from enteroviral genomes

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A decade of processing multi-modal data at XFELs

A. S. Brewster, D. W. Paley and N. K. Sauter

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Structural insights into N-linked glycan remodeling of the SARS-Cov-2 spike protein

S. Singh, Yi Liu, M. Burke, B. Jennings, D. Dey, B. Doray, S. Stein and S. S. Hasan

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New methodologies for preparing and imaging cryo-EM samples

G. Li, M. S. Westphall, A. Z. Salome, K. W. Lee, J. J. Coon and T. Grant

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Investigating temperature and pH-dependent phase behavior of lipid nanoparticles with small-angle X-ray scattering

J. San Emeterio

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Imaging neurons by cryo-electron tomography

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You would think 1.2 Å resolution would be enough for structure solution…

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Ionothermal synthesis and characterization of transition-metal thiophosphates: ideas versus reality

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Mapping of pathological inclusions in human brain tissue with Alzheimer's disease

A. Al Bashit, P. Nepal, L. Makowski and L. Yang

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Assuring quality in Rietveld refinements

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Depth-sensitive grazing-incidence crystallography: from atomic to mesoscopic scale in-plane structures

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Turning ribonucleotide reductase on and off

G. A. Andree, A. J. Dorfeuille, M. A. Funk, G. Kang, T. S. Levitz, K. R. Miller, G. Perez Goncalves, D. E. Westmoreland, C. M. Zimanyi and C. L. Drennen

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Structure and dynamics in BaTiS₃ hexagonal perovskite as seen by neutron scattering

R. P. Hermann, G. Yumnan, M. E. Manley, B. L. Winn and C. Hoffmann

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Structural characterization of a zinc-coordinated bis-histidine heme-binding site in the DUF2470 cyanobacterial protein

E. F. Yee, K. Chopra, N. Grosjean, D. Kumaran, M. Abernathy, J. Byrnes and L. Yang

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Small-angle X-ray scattering measurements of protein crowding in the frozen state

J. San Emeterio

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Absolute configuration determination of small molecules with MicroED

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An automated approach to MicroED enables structure determination of complex samples

J. Unge, J. Lin, S. J. Weaver, C. Saeher and T. Gonen

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Structural changes on silicon–graphite anodes for lithium-ion batteries by in situ synchrotron X-ray diffraction

W. Hua, P. A. Sanchez, J. Campo Ruiz, F. H. Cova and M. V. Blanco

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Programmed self-assembly of RNA molecules for structural determination

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Nanoarchitectural engineering of RNA for structural determination using cryo-EM

P. Yin and D. Liu

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SER-CAT data collection plans on other beamlines during APS dark period

Z. Jin, J. Chrzas, J. P. Rose, U. Chinte, P. Kandavelu, R. C. Salazar, Z.-Q. Fu and B. C. Wang

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Advances in single-crystal neutron diffraction

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Reciprocal-space mapping for macromolecular crystallography

S. P. Meisburger and N. Ando

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Sweet protein crystallography in post-AlphaFold era

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Octahedral tilting, cation ordering and hydrogen bonding in layered hybrid halide perovskites

P. M. Woodward, N. Holzapfel, T. Liu and J. Race

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Challenges of structural genomics – two decades perspective

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Extension of Bright Wilson's justification of the first Hohenberg Kohn theorem to non-nuclear maxima (NNM)

C. F. Matta, A. de Jesus Mortera-Carbonell, J. S. M. Anderson and L. Massa

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Structural genomics: past, present and future

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Designing a Rieske route for C—H bond functionalization

J. Tian, A. A. Garcia and J. Bridwell-Rabb

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Public use cryo-EM at Spring-8

H. Shigematsu, C. Gerle and C. Gopalasingam

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Small-angle X-ray scattering applications in structural biology

L. Fan and Y.-X. Wang

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Economics of biodata archiving viewed through the lens of the RCSB Protein Data Bank

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XFEL microcrystal diffraction for fast and accurate small-molecule structures

D. W. Paley, E. A. Schriber, A. S. Brewster, M. Aleksich, M. Hunter, P. A. Kotei, D. W. Mittan-Moreau, V. Oklejas, R. G. Sierra and M. Ward

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Accurate crystal structures of ices from X-ray and ED with Hirshfeld atom refinement

K. Wozniak, M. Chodkiewicz, R. Gajda, V. B. Prakapenka and P. Dera

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Native structure of mosquito salivary protein uncovers domains relevant to pathogen transmission

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Role of receptor binding domain conformation on spillover potential of Cambodian sarbecovirus

S. K. Zepeda, T. N. Starr, A. J. Greaney, A. Muenks, A. C. Walls, Y.-J. Park, D. Corti, F. DiMaio, J. D. Bloom and D. Veesler

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Increasing completeness in single-crystal high-pressure diffraction experiments by pre-orienting crystals

D. M. Tchoń, A. Zwolenik and A. M. Makal

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Magnetic structure analysis of NiPS_3−xSe_x

M. Lopez, R. Stadel and E. E. Rodriguez

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Structural and biochemical investigation of a novel natural product amination domain

M. R. Rankin, D. Khare, E. Martínez Valdivia, D. H. Sherman, W. H. Gerwick, A. K. Mapp and J. L. Smith

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Quantifying organellar ultrastructure in cryo-electron tomography using a surface morphometrics pipeline

D. A. Grotjahn, B. A. Barad, M. Medina, D. Fuentes and R. L. Wiseman

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The total energy from X-ray electron density?

L. Massa and C. F. Matta

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Cryo-EM reveals the mechanism of mediator-driven Rad51 filament formation in homologous recombination

J. Deveryshetty, R. Chadda, J. Mattice, M. Rau, S. Karunakaran, N. Pokhrel, N. Englander, J. Fitzpatrick, B. Bothner and E. Antony

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Structural genomics' role in innovative structure characterization

J.-M. Chandonia and S. E. Brenner

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MicroED structure of a protoglobin reactive carbene intermediate

E. Danelius, N. J. Porter, J. Unge, F. H. Arnold and T. Gonen

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New cryo-EM methods to capture endogenous complexes in multiple functional states at atomic resolution

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Beyond MicroED: ab initio crystal structures using 4D-STEM

A. Saha, A. Pattison, M. Mecklenburg, A. Brewster, P. Ercius and J. A. Rodriguez

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Micro-structured polymer fixed targets (MISP-chips) for serial crystallography at synchrotrons and XFELs

M. Carrillo, T. J. Manson, J. H. Beale and C. Padeste

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Aspherical scattering factors from multipole model for X-ray and electron crystallography

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Path to PUI as a protein crystallographer

K. J. McLaughlin

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Design and implementation of suspended-drop crystallization

C. Gillman, M. Martynowycz, W. J. Nicolas and T. Gonen

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The cost of big science

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Monomer and dimer structures of cytochrome bo3 ubiquinol oxidase from Escherichia coli

Y. Guo, E. Karimullina, T. Emde, Z. Otwiniwski, D. Borek and A. Savchenko

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Challenges and successes in determining the structure of arginyltransferase 1 (ATE1)

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Exploring the impact of crystals on mind and art

J. M. Garcia-Ruiz

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Automation for data collection, processing and analysis on the LiX beamline

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Realizing autonomous, real-time, AI-driven multimodal studies at X-ray light sources

D. Olds, P. Maffettone, B. Ravel, T. Caswell, S. Campbell and H. Joress

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Filament formation drives catalysis of glutaminase

S. Feng, C. Aplin, T.-T.T. Nguyen and R. A. Cerione

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High-pressure C₆₀S₈: a well travelled cool structure

C. M. Beavers, E. F. O'Bannon, K. B. Ghiassi, A. L. Balch and M. M. Olmstead

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A modular covalent labeling system for ground-truth localization of synaptic proteins by cryo-electron tomography

R. Held, M. Azubel, J. Liang and A. Brunger

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OpenFIBSEM: a universal API for FIBSEM control and automation

A. de Marco, P. Cleeve, L. Naegele and R. Kannachel

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Structural characterization and targeting of higher-order promoter G-quadruplexes

R. C. Monsen, L. W. DeLeeuw, W. L. Dean, R. D. Gray, S. Chakravarthy, J. B. Hopkins, J. B. Chaires and J. O. Trent

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A comprehensive validation and reassessment of the rutile aristotype's distortion tree using representational analysis and crystal chemistry concepts

J. M. Allred, E. M. Elbakry, J. F. Phillips and T. B. Rawot Chhetri

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Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitrophenyl)piperazine

S. D. Archana, S. Foro, H. S. Yathirajan, H. K. Kumar, R. J. Butcher and R. Balerao

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Towards the visual proteomics of Chlamydomonas reinhardtii using high-throughput collaborative in situ cryo-ET

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How should you publish this? Thoughts from an Acta C editor

A. A. Sarjeant, L. Falvello, A. R. Kennedy, P. R. Raithby and J. M. White

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Real-time data analysis and experimental adjustments with interceptor at SSRL

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SASSIE: a BioSAS experiment planning and data analysis tool

S. Krueger and J. E. Curtis

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Recent development of operando neutron diffraction and its application in studying energy storage materials

J. Liu, Z. Du and M. Everrett

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Influence of hydrogen bonding on the formation of 0D or 1D manganese halide hybrid materials

K. Gallegos, M. Ozide and R. Castañeda

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Multimodal modeling of flexible and conformationally heterogeneous molecules

P. J. Fleming and K. G. Fleming

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Investigation of the manipulation and interaction of magnetic and electric dipoles on the pyrochlore lattice

G. Laurita, O. Bailey, J. O'Hara, D. Olds and H. Evans

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Robotic sample preparation and delivery for autonomous material discovery on APS-U 8-ID beamlines

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The role of the NSF's ChemMatCARS advanced crystallography program in the economic crystallography

Y.-S. Chen, T. C. Chang and Y.-P. Chen

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Mechanistic investigations of solid-state desolvation processes

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Considerations for running a dedicated cryo-EM core facility

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Seeing is believing: visualizing submicrometre crystals as a first step towards direct protein sample preparation for MicroED experiments

M. L. Lynch, E. Snell and S. E. J. Bowman

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Can't we just use SQUEEZE?

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Biological X-ray solution scattering under intense hydrostatic pressure: current applications and practice

R. E. Gillilan, R. C. Miller, G. Ilava, R. J. Schweinfurth, N. Ando and Q. Huang

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Hydrogen-bonded frameworks for molecular structure determination

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Leveraging cryo-electron microscopy to reshape the drug discovery landscape

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CryoHub: a user-friendly web-based platform for command-line scientific research tools specializing in cryo-EM analysis

L. Yang, C. Li, H. Liu, R. Xiao, B. Walls, Y. Zhang, J. Zhang, L. Wang, C. Lugai, S. Lakshmikanth, N. Vangos, M. Cianfrocco and Y. Li

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Impact on validation and quality of structures deposited to PDB

W. Minor, M. Cymborowski and D. R. Cooper

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Innovating together: how strategic academic–industry collaboration can drive advances in materials discovery and create economic and socio-economic benefits

N. Vukotic and A. Dmitrienko

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Improving access and throughput of the MX beamlines at Diamond Light Source, UK

M. Mazzorana, D. Aragao, N. Paterson, E. Nelson, F. Bertram and D. Hall

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Electron diffraction – the Swiss knife among the analytical equipment for solid-state characterization for pharmaceuticals

D. Stam, J. Merkelbach and C. Jandl

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MetalJet X-ray sources for experiments at non-ambient pressures

J. Hållstedt, R. Drake, G. Gopakumar and E. Espes

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Raw diffraction data are our ground truth from which all subsequent workflows develop

J. R. Helliwell

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MetalJet – making the impossible possible

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Uncovering the molecular basis for SARM1 activation

P. S. Kerry, A. Brearley, M. Furrer and K. Cunnea

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High-pressure X-ray diffraction for visualization of transient intermediates in the tryptophan synthase mechanism

L. B. Leber, V. N. Drago, D. M. Szebenyi, R. S. Phillips and T. C. Mueser

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A metal-dependent conformational change provides a structural basis for the inhibition of Escherichia coli CTP synthase by gemcitabine-5′-triphosphate

M. J. McLeod, N. Tran, G. D. McCluskey, T. D. Gillis, S. L. Bearne and T. Holyoak

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The geometrically frustrated spin glass (Fe_1−pGa_p)₂TiO₅

D. Phelan, F. Ye, H. Zheng, E. Krivyakina, A. Samarakoon, P. LaBarre, J. Neu, T. Siegrist, S. Rosenkranz, S. Syzranov and A. Ramirez

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Neutron powder diffraction studies of metal–organic frameworks for gas storage and separation

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Inline size-exclusion chromatography on Bio-SANS

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Enhancing structure determination from powder X-ray diffraction data through multi-technique synergy

K. D. M. Harris

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Understanding the local spin structure of MnPSe₃ and MnPS₃ through magnetic pair distribution function analysis

R. Baral, J. Liu, N. Huang, D. Mandrus and S. Calder

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Capturing critical sites in disorder-to-order complexation to manipulate protein–protein interfaces

C. R. Bourne and K. J. Snead

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Integrated M and RELION pipeline in a Linux environment

Z. Liu, J. Wang, H. Wang and L. Mei

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In situ pressure–temperature studies of biological systems using small-angle neutron scattering technique

M. Senanayake, L. He, M. J. Loguillo, V. S. Urban and H. M. O'Neill

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Time-resolved structural science

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Using machine learning for regularization in cryo-EM

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Histone H2B ubiquitination in transcription regulation

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Novel macrocyclic antibiotic structure targeting BamA against gram-negative pathogens

B.-K. Yoo, R. Miller, S. Bowman, D. Rees and K. Lewis

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Hierarchical structure of cellulose microfibrils for regenerated cellulose fiber

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Group II intron splicing mechanisms – ribozymes and retrotransposons

L. Xu, K. Chung, T. Liu, P. Chai, J. Peng, S. Devarkar and A. Pyle

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Operando small-angle neutron scattering and its applications in energy storage materials

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Adsorption and separation processes within metal–organic frameworks through neutron scattering

C. M. Brown, H. Evans, M. Wenny and R. Klein

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Three-dimensional flexible refinement: determining structure and motion of flexible proteins from cryo-EM

A. Punjani and D. Fleet

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Exploring the structure of lipid nanoparticle-based mRNA vaccine systems using a laboratory SAXS beamline

H. Santner and H. Ehmann

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A complete micro-electron diffraction (MicroED) solution for fast structure determination of macromolecules and small molecules

J. R. Herrmann, N. Young and A. Kotecha

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Hot and bothered: perturbing protein dynamics with temperature jump for time-resolved crystallography experiments

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Enhanced sample environments for biological SAXS on SSRL BL4-2

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Structural characterization of two-compartment lipid nanoparticles using small-angle X-ray/neutron scattering

W. C. Leite, J. L. Thelen, V. Urban, H. O'Neill, A. Grishaev, J. E. Curtis, S. T. Krueger and M. M. Castellanos

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Enabling automated cryo-EM data acquisition with Smart EPU

E. Pryor, F. Grollio, B. van Knippenbe, Y. Den and H. Koh

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Cryo-EM single-particle reconstruction with a complex-valued particle stack

Z. Otwinowski, R. Bromberg, Y. Guo and D. Borek

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Automated native mass spectrometry screening of membrane proteins for structural biology applications

N. de Val, S. Kronewitter, P. Gazis, M. Greer, W. Liu, R. Viner, O. Adeyemi, A. Konijneberg and E. P Pryor

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Explicit atom deuterium contrast matching for small-angle neutron scattering on biomolecular systems

A. Hicks, P. Abraham, W. Leite, Q. Zhang, K. Weiss, H. O'Neill, L. Petridis and J. C. Smith

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The importance of the water network within the leukotriene A₄ hydrolase binding site for aminopeptidase activators

K. H. Lee, S. H. Lee, J. Xiang, G. Petruncio, Y. M. Shim, M. Paige and S. M. Noble

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Optimizing data collection time for absolute configuration determination

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A snowball effect of opening doors and offering sustained support for early career scientists

L. R. F. Backman

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Crystal structure prediction with quadrupolar NMR crystallography (QNMRX-CSP)

A. Peach, C. Fleischer III, K. Levin, J. Sanchez, S. Holmes and R. Schurko

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Conformational changes and flexibility in cobalamin-dependent methionine synthase (MetH) studied by SAXS and cryo-EM

M. B. Watkins, H. Wang, A. A. Burnim and N. Ando

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Understanding activation and inhibition of leukotriene A₄ hydrolase aminopeptidase by 4MDM-ARM1 hybridized modifiers

K. H. Lee, S. H. Lee, J. Xiang, G. Petruncio, Y. M. Shim, M. Paige and S. M. Noble

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What to do when h, k and l do not describe all the reflections in the diffraction?

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Equilibrium and time-resolved SAXS on BioCAT

M. B. Watkins, J. Hopkins, R. Heurich, W. Ma, C. Clark, M. Vukonich and T. Irving

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The mythical metal – insights on the accuracy of metal identification in structural biology

E. H. Snell, E. F. Garman, G. W. Grime, A. E. Cohen and S. E. J. Bowman

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Analysis pipeline for in situ SAXS/WAXS experiments

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Coupling of charge density wave to a spin cycloid in topological semimetal NdSb_xTe_2−x−δ

T. H. Salters, F. Orlandi, T. Berry, J. F. Khoury, P. Manuel and L. M. Schoop

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A robust absolute structure determination method by dynamical refinement against electron diffraction data

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Improvements to time-resolved structural study using mix-and-quench crystallography

J. A. Indergaard, M. McLeod, A. Mahmood and R. Thorne

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Cryo-EM reveals the structural origins of asymmetric electron transfer in nitrogenase-like enzymes

R. Kashyap, J. Deveryshetty and E. Antony

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Nothing beats good data – lessons learned from native-SAD data collection can give the best crystal structure from AlphaFold molecular replacement models

J. P. Rose, D. Zhou, L. Chen and B.-C. Wang

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Site occupancy and disorder effects on Mg_1−xCo_xPS₃ obtained through metal ion exchange metathesis

H. C. Mandujano, T. Li, P. Y. Zavalij and E. E. Rodriguez

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Further studies on copper cyanide networks

P. W. R. Corfield, A. M. F. Varona, T. B. DaCunha, N. B. Eisha and A. Elsayed

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Developing training and educational resources in biomolecular structural biology for diverse audiences

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Increasing STEM persistence through CUREs and community

K. J. McLaughlin

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Validation and archival of MicroED data

J. Hattne, M. W. Martynowycz, M. Clabbers, J. Unge, J. Lin and T. Gonen

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Deep learning for reconstructing in situ structural landscapes from cryo-electron tomography

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High-resolution crystal structures of transient intermediates in the phytochrome photocycle

E. A. Stojkovic, T. N. Malla, L. Aldama, S. Pandey, M. Carrillo, S. Westenhoff and M. Schmidt

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Xtalab Synergy-ED: to cryo, or not to cryo, that is the ED question

M. Del Campo, K.-N. Truong, R. Bücker, F. White, T. Stolar, K. Užarević, L. Grisanti, E. Meštrović, M. Meyer, M. Jasnowski, A. Yamano, S. Ito, E. Okunishi, Y. Aoyama and J. Ferrara

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TomoDRGN: resolving structural heterogeneity in situ

J. Davis, B. Powell and S. Mosalaganti

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The GM/CA@APS Structural Biology Facility upgrade plan and APS upgrade

R. F. Fischetti, N. Venugopalan, M. Becker, S. Corcoran, D. Ferguson, M. Hilgart, D. J. Kissick, O. Makarov, C. M. Ogata, S. Stepanov, Q. Xu, S. Xu and J. L. Smith

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Refinement of anomalous dispersion parameters – more than model improvement

M. Bodensteiner

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A complete, versatile and cost-effective solution for routine serial and 'conventional' synchrotron crystallography

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From lab to leadership: pursuing passion and purpose

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New capabilities of the Structural Science Group beamlines before and after the APS upgrade

W. Xu, S. Lapidus, L. Ribaud, O. Borkiewicz, T. Kinnibrugh, A. Yakovenko, K. Beyer, J. Weng, T. Li, K. Wiaderek, G. Jennings, C. Kurtz and U. Ruett

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Copper acetate small-molecule crystallography undergraduate experiments

A. M. Beauparlant, S. Eagle, M. O. Cope and A. R. Marshall

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Crystallizing student interest in biochemistry

S. Huang and S. Huang

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Image segmentation and advanced processing of 2D diffraction data

W. Xu, H. Yanxon, J. Weng, N. Schwarz and U. Ruett

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Single selenium atom to control nucleic acid conformation and large crystal growth

Z. Huang, C. Chen, Z. Fang, S. Huang and S. Huang

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Selenium nucleic acids for innovative structural biology

Z. Huang, Z. Fang and S. Huang

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Improving data collection efficiency in small-molecule serial femtosecond crystallography at X-ray free-electron lasers

E. A. Schriber, D. Paley, R. Sierra, A. Brewster and J. N. Hohman

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Structural characterization of spermidine methyltransferase, a novel member of the plant aminopropyltransferase family from Erythroxylum coca

C. E. Stewart, B. Chavez and J. C. D'Auria

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Unsolvable Rh₂L₄.2NCR structures

S. Eagle and A. M. Beauparlant

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Unravelling the dynamics of biomolecules by serial crystallography at X-ray free-electron lasers

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Structural insights for β-lactam antibiotics

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Recent developments on the biological small-angle neutron scattering instrument (Bio-SANS) at Oak Ridge National Laboratory

H. O'Neill, S. V. Pingali, W. Leite, K. Weiss, Q. Zhang, H.-H. Zhang, L. Heroux and V. Urban

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Mode of substrate binding for ketohexokinase across isozymes and species implies an induced-fit mechanism

S. Y. Bae, K. N. Allen and D. R. Tolan

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The autonomous formulation laboratory: automated SAXS and SANS for formulation discovery and optimization

P. A. Beaucage and T. B. Martin

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Structural studies of non-structural protein 15 (Nsp15) endoribonuclease from original SARS-Cov-2 and its variant epsilon for therapeutic intervention

M. Sonowal, N. Nagaratnam, D. Logeswaran, R. Jernigen, R. Fromme and P. Fromme

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Molecular glue induced targeted protein degradation

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Cryo-FIB milling of large tissue samples with on-the-fly localization

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Structural studies of GPCRs with MicroED

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Dissemination of cryo-EM best practices by training with modular units called 'merit badges'

C. M. Zimanyi, E. T. Eng, J. S. Kieft and A. de Marco

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A SAXS/WAXS study: structural reconstruction and evolution of nanoparticle assemblies

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XRAI: simulation informed neural networks for guiding crystallography experiments

D. Mendez, A. Lyubimov, J. Song, S. McPhillips, M. Soltis, J. M. Holton and A. E. Cohen

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Biosynthesis of deuterated lipids for structural and biophysical characterization of biomembranes and membrane proteins

Q. Zhang, H. Zhang, M. Keller, W. Leite, S. Qian, R. Hettich and H. O'Neill

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Periodic arrangement of translational machinery within cardiac muscle fibers

S. Mosalaganti, A. Schwarz, S. Hemanna, J. Heineke and M. Beck

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Learning how science works with crystals: a proposal for Africa

J. W. Kiano, P. W. Gitari, L. Nyaranga and J. M. Garcia-Ruiz

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Self-driving multimodal studies at user facilities

P. M. Maffettone, D. B. Allan, S. I. Campbell, M. R. Carbone, T. A. Caswell, B. L. DeCost, D. Gavrilov, M. D. Hanwell, H. Joress, J. Lynch, B. Ravel, S. Wilkins, J. Wlodek and D. Olds

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Hierarchical structures of polysaccharides

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Structures of langya virus fusion protein ectodomain in pre and post fusion conformation

A. J. May, K. Pothula, K. Janowska and P. Acharya

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Lesion recognition by XPC, TFIIH and XPA in DNA excision repair

W. Yang, J. S. Kim, X. Chen, Y. Cui, F. M. Golebiowski, H. Wang, F. Hanaoka and K. Sugasawa

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Dihydroorotase from Methanococcus jannaschii with substrate and product bound

J. Vitali, J. C. Nix, H. E. Newman and M. J. Colaneri

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The crystal structure of coxsackievirus 5′ RNA replication platform

N. K. Das, N. M. Hollman and D. Koirala

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A case of UV-induced proton-coupled electron transfer in copper-doped zinc creatinine sulfate: an EPR, DFT and crystallographic investigation

M. J. Colaneri, S. J. Teat and J. Vitali

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Amino acid sensation and transport by SLC38A9

X. Mu, H. T. Lei, J. Hattne and T. Gonen

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Exploring the interplay of dynamics and allosteric regulation in PTP1B

A. A. Saeed, M. A. Klureza and D. R. Hekstra

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Chain growth kinetics of conjugated polymers on ferromagnetic nanoparticles investigated by SANS

S. Fanourakis, D. Rodrigues, S. Barroga and J. Perez

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Structure studies of IMP-specific phosphatase ISN1 from Saccharomyces cerevisiae

S. Byun and S. Rhee

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RELION-based automation pipeline

W. Wu, Y. Lozzo, J. Batchelor and A. Park

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Computational reverse engineering analysis of scattering experiments (CREASE) for soft materials

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Structural characterization of a metal transporter from Bacillus subtilis

D. Zheng, Y. Silva and O. S. Fisher

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Crystal structure of Escherichia coli thiamine pyrophosphate-sensing riboswitch in the apo state

J. R. Stango, H. K. Lee, Y.-T. Lee, L. Fan, H. M. Wilt, C. Conrad, P. Yu, J. Zhang, G. S Shi, X. Ji and Y.-X. Wang

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Cryo-EM uncovers how lysophosphatidic acid (LPA) cooperatively and allosterically activates the inflammatory pain receptor transient receptor potential vanilloid 1 (TRPV1)

W. R. Arnold, Y. Cheng and D. Julius

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Effect of crystal structure on photoreactivity of unsaturated carboxylic acids in the solid state

M. Esmaeili and D. V. Soldatov

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Structural and biophysical characterization of the Vibrio cholerae ferrous iron transport protein B (FeoB)

M. A. Lee and A. T. Smith

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The structural basis for macaque Fc α receptor (CD89) activation by IgA Fc

W. D. Tolbert, P. Gurung, R. Sherburn, S. Gottumukkala and M. Pazgier

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Structural studies of domain IV RNA from type I picornaviral internal ribosome entry sites

H. Al Banna, N. K. Das and D. Koirala

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Understanding preferences for double-stranded RNA cleavage by SARS-Cov-2 enzyme Nsp15

Z. M. Wright, K. J. U. Butay, I. M. Wilson, G. A. Mueller, M. J. Borgnia and R. E. Stanley

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Structural properties of the valence tautomerism interconversion in Co(diox)₂(Py)₂ crystals

L. Leroy, E. Kiens, C. Bacellar, M. Chergui and C. Pinheiro

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The crystal structure of a PTE RNA element from a cactus virus that binds human eIF4E

M. Ojha and D. Koirala

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The Berkeley Center for Structural Biology at the Advanced Light Source

M. Allaire, J. Dickert, J. Taylor, R. Cayford, K. Royal, A. Rozales, D. Santos, S. Ortega, A. Spucces, T. Stevens, A. Wojdyla, J. Nix, Y. Ha and D. Prigozhin

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Reaction of monosaccharides with substituted anilines and phenylhydrazines: Schiff bases versus glycosylamines as crystalline products

W. H. Ojala, A. B. Smith, A. C. Korte, L. R. Streitman, J. A. Vargason and J. M. Smieja

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Crystals of new bis-2ampy Ni^II compounds with TCNQ or TCNQF₄ – unexpected structural differences

M. Tomás, I. Ara, J. Černák, L. R. Falvello, M. Rubio and S. Šterbinská

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Building ground truth benchmarks of structural heterogeneity for cryo-EM

A. V. Grassetti, L. F. Kinman and J. H. Davis

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Structural basis and inhibition of outer membrane protein biogenesis in pathogenic Neisseria

E. Billings, R. Stein, N. Wolske, C. Seyfert, H. Mchaourab, A. Sikora, R. Muller and N. Noinaj

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Cryogenic electron microscope facility at KEK-SBRC

A. Ikeda, M. Kawasaki, T. Kubota, M. Yamamoto, Y. Yamada, S. Inaba-Inoue, A. Takasu, S. Aramaki, C. Masuda, N. Adachi, T. Moriya and T. Senda

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Determining the crystal structure of collagenase H S1 domain and developing a SAXS-derived enveloped structure of its binding domains–minicollagen complex

A. O. Bonsu, T. Mima, O. Matsushita and J. Sakon

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Three-dimensional structures of reduced state NADH-ferredoxin reductase (BphA4) solved in X-ray crystallography and cryo-EM

A. S. Takasu, M. Senda, A. Shinji, T. Moriya and T. Senda

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Investigating the role of a highly conserved tryptophan in the copper-binding site of Bacillus subtilis YcnI protein

Y. R. O. Silva, D. Zheng, O. S. Fisher and S. C. Peters

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Sample preparation for routine and advanced structural biology, including serial data collection, MicroED and cryo-EM

S. Kolek, P. Shaw Stewart, J. Stubbs and P. Baldock

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Biophysical characterization of the Pseudomonas aeruginosa BqsR/BqsS two-component system

A. Paredes, J. Baptiste-Brown, C. Iheacho and A. T. Smith

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One-dimensional coordination polymers and discrete complexes with {LnCu₅}³⁺ metallamacrocycles demonstrating single-molecule magnet behavior or magnetocaloric effect

A. Pavlishchuk, M. Zeller, E. Rentschler, F. Pointillart and A. W. Addison

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Understanding the structure and properties of the elusive non-stoichiometric lead dioxide

T. L. Kinnibrugh, T. Fister, X. Wang, D. Bazak, A. Karakoti and V. Murugesan

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Understanding bioterrorism agent Francisella tularensis virulence through CapBCA protein

M. E. Ranaweera, R. J. Jernigan, D. T. Hansen and P. Fromme

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Bicalutamide polymorphism: solid-state NMR characterization of two crystalline forms

S. Gunaga, J. Rusli and D. L. Bryce

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Statistically guided high-throughput polymorph screening of ROY

J. Weatherston, M. J. Hall and M. R. Probert

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Implementing encapsulated nanodroplet crystallisation techniques to crystallise natural products

M. J. Hall, A. Longcake, M. R. Probert, N. H. Oberlies and L. Mardiana

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The prediction, observation and analysis of a new form of cannabidiol

L. Mardiana, M. J. Hall and M. R. Probert

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Structural studies of secreted autotransporter toxin, a serine-protease autotransporter of enterobacteriaceae

D. E. Kiefer, J. Meza-Aguilar, L. Gross-Schrag, R. Fromme and P. Fromme

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A serial crystallography error model robust to outlier observations

D. W. Mittan-Moreau, V. Oklejas, D. W. Paley, N. K. Sauter and A. S. Brewster

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Understanding the emergence of CDW order in KCP via a 2D xy model

A. Minelli, A. Verme, E. Wolpert, E. Schmidt, F. Ye and A. Goodwin

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A disulfide bridge survey and library

C. J. Williams, S. Pasumarthy and J. S. Richardson

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Microstructural characterization of charged polymers involved in molecular mechanisms of moisture-driven direct air capturing (Mission DAC)

G. Yogaganeshan and P. Fromme

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Structural studies of the human particulate guanylyl cyclase receptor A (Pgc-A) to support therapeutics for cardiovascular diseases

K. Jeyasothy, S. Zhang, J. M. Martin-Garcia, D. M. Aguilar, D. T. Hansen, P. Fromme and J. C. Burnett Jr

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The Structural Molecular Biology program at the Stanford Synchrotron Radiation Lightsource

S. Russi and D. A. Mendez

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Macrocycle refinement: bambusuril structures

N. Yamamoto, A. H. Olsson, E. A. Kambas, K. L. VanDenburgh, B. W. Laursen and A. H. Flood

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EMhub: a web platform for cryo-EM center management and on-the-fly data processing

J. M. De la Rosa Trevín, G. Sharov, I. Fernández and M. Carroni

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Dissecting M5717 killing of malaria parasites

M. Haile, J. Cheng, L. Anton, D. Cobb, C. Lee and C.-M. Ho

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Structural characterization of a small-molecule RNA triple helix complex

M. M. Glennon, K. M. Shivakumar, M. Zafferani, A. Donlic, A. E. Hargrove and J. A. Brown

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NERSC in the loop: supporting experimental facilities at the National Energy Research Scientific Computing Center

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A novel GUI for serial data classification using machine-learning approaches

G. K. Ketawala, P. Fromme and S. Botha

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Visualizing Plasmodium falciparum ultrastructure at subnanometre resolution across the asexual blood stages using in situ cryo-ET

W. Cheng, L. Anton, M. Haile, D. Cobb and C.-M. Ho

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Structure determination of outer surface protein BBA57 from the Lyme disease pathogen supports the structure-based design of needed therapeutics

J. Antonyrajah, M. R. Goode, E. K. Kaschner, D. T. Hansen and P. Fromme

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Analysis of human serum albumin metal complexes

V. A. Bijak, M. Gucwa, M. Szcygiel, K. Handing and W. Minor

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The use of CheckMyMetal for modeling metal binding sites in low-resolution protein structures

M. Gucwa, J. Lenkiewicz, M. Szcygiel, A. Aripova and W. Minor

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Advancing crystallography research: the latest progress and future directions of NE-CAT beamlines at the Advanced Photon Source

A. Kaya, M. Capel, I. Kourinov, A. Lynch, F. Murphy, D. Neau, K. Perry, J. Schuermamm, N. Sukumar, J. Withrow and S. Ealick

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Micro-electron diffraction applications in the structural analysis of metal–organic frameworks and amorphous phases prepared by mechanochemistry

S. Pagola, J. Merkelbach and T. Abdel-Fattah

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Investigating near movement-free imaging without gold

M. R. Hoq and M. Su

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Structure of membrane proteins

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Cryo-EM SPA for structural understanding of A-to-I RNA editing: human adenosine deaminase acting on RNA 2 (ADAR2) complexed with dsRNA

M. Matthrew, A. Thuy-Boun, S. Mozumder, P. A. Beal and A. J. Fisher

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Structural basis for Cas9-mediated DNA interrogation and editing with 5′ truncated sgRNAs

K. A. Kieman, J. Kwon, M. Munoz, B. Merill and M. Siminovic

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Voltage-gated potassium channels

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Tetrakis(acetato) dirhodium(II), [Rh₂(O₂CCH₃)₄]

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Advances

Recently published Advances articles are given below.

Crystallography of homophase twisted bilayers: coincidence, union lattices and space groups D. Gratias & M. Quiquandon (2023). Acta Cryst. A79, https://doi.org/10.1107/S2053273323003662.

New benchmarks in the modelling of X-ray atomic form factors G. Thorkildsen (2023). Acta Cryst. A79, https://doi.org/10.1107/S2053273323003996.

A general force field by machine learning on experimental crystal structures. Calculations of intermolecular Gibbs energy with FlexCryst D. W. M. Hofmann & L. N. Kuleshova (2023). Acta Cryst. A79, https://doi.org/10.1107/S2053273323000268.

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Debye scattering equation

Mathematical crystallography

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