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Figure 2
Quinone cofactor structure refined with various data sets. (a) Equilibrium between the enolate and the keto forms of TPQ. Refined structure of TPQ from (b) X-ray/neutron analysis, (c) neutron analysis and (d) X-ray (1.72 Å)/neutron analysis. The assigned model of TPQ is superimposed on the Fo – Fc polder omit ED map [orange mesh, contoured at 7.0σ for residue 382 (TPQ) in (b) and (d)] or on the Fo – Fc polder omit SLD map [cyan mesh, contoured at 4.0σ for residue 382 and at 3.5σ for D atom(s) attached to the C3 atom of residue 382 in (b), (c) and (d)].

IUCrJ
Volume 9| Part 3| May 2022| Pages 342-348
ISSN: 2052-2525
https://doi.org/10.1107/S2052252522003657