期刊
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
卷 72, 期 -, 页码 956-965出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2059798316010706
关键词
TakeTwo; data processing; serial crystallography; XFELs; X-ray free-electron lasers
资金
- Medical Research Council [MR/N00065X/1, G1000099]
- Wellcome Trust [075491/04, 090532/Z/09/Z]
- US National Institutes of Health [R01-GM102520]
- Canadian Institute for Advanced Research
- European Union under REA [623994]
- BBSRC [BB/L008777/1] Funding Source: UKRI
- MRC [MR/N00065X/1, G1000099] Funding Source: UKRI
- Biotechnology and Biological Sciences Research Council [BB/L008777/1] Funding Source: researchfish
- Medical Research Council [MR/N00065X/1, G1100525, G1000099] Funding Source: researchfish
The indexing methods currently used for serial femtosecond crystallography were originally developed for experiments in which crystals are rotated in the X-ray beam, providing significant three-dimensional information. On the other hand, shots from both X-ray free-electron lasers and serial synchrotron crystallography experiments are still images, in which the few three-dimensional data available arise only from the curvature of the Ewald sphere. Traditional synchrotron crystallography methods are thus less well suited to still image data processing. Here, a new indexing method is presented with the aim of maximizing information use from a still image given the known unit-cell dimensions and space group. Efficacy for cubic, hexagonal and orthorhombic space groups is shown, and for those showing some evidence of diffraction the indexing rate ranged from 90% (hexagonal space group) to 151% (cubic space group). Here, the indexing rate refers to the number of lattices indexed per image.
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