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Figure 10
Structure solvability. Parameters of substructure solution (red) and of overall structure determination (blue) are shown in (a) and (b) for data merged crystal by crystal and in (c) and (d) for data merged wedge by wedge: (a) and (c) DnaK, (b) and (d) HK9S. For data merged crystal by crystal, SHELXD CCweak values (red stars, success percentages in parentheses) for successful solutions and model correctness (blue triangles) are plotted against number of crystals merged best to worst. For data merged by wedge by wedge, SHELXD CCweak and MapCC were plotted with respect to multiplicity in the accumulated wedges. For wedge-by-wedge mergings, each individual data set was divided into wedges of sequentially measured frames (eight wedges for DnaK–ATP and six wedges for HK9S) and these data were then merged successively. Successive accumulations from these wedges were then used for native SAD phasing based on substructures obtained previously from analyses of all merged data. MapCC values resulting from each of these successive wedge structures were fitted to an asymptotic formula described previously. Fittings with the asymptotic formula are shown as smooth lines through the data points. Fitted parameters (MapCCmax, a, b) are (0.867 ± 0.0190, 0.3791 ± 0.0538, 0.0246 ± 0.0070) for DnaK–ATP and (0.686 ± 0.015, 0.786 ± 0.0788, 0.0258 ± 0.0040) for HK9S.

Journal logoBIOLOGICAL
CRYSTALLOGRAPHY
ISSN: 1399-0047
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