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Challenges and solutions for the analysis of in situ, in crystallo micro-spectrophotometric data

Dworkowski, FSN and Hough, MA and Pompidor, G and Fuchs, MR (2015) 'Challenges and solutions for the analysis of in situ, in crystallo micro-spectrophotometric data.' Acta Crystallographica Section D: Biological Crystallography, 71. 27 - 35. ISSN 0907-4449

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Combining macromolecular crystallography with in crystallo micro-spectrophotometry yields valuable complementary information on the sample, including the redox states of metal cofactors, the identification of bound ligands and the onset and strength of undesired photochemistry, also known as radiation damage. However, the analysis and processing of the resulting data differs significantly from the approaches used for solution spectrophotometric data. The varying size and shape of the sample, together with the suboptimal sample environment, the lack of proper reference signals and the general influence of the X-ray beam on the sample have to be considered and carefully corrected for. In the present article, how to characterize and treat these sample-dependent artefacts in a reproducible manner is discussed and the SLS-APE in situ, in crystallo optical spectroscopy data-analysis toolbox is demonstrated.

Item Type: Article
Subjects: Q Science > QH Natural history > QH301 Biology
Divisions: Faculty of Science and Health > Life Sciences, School of
Depositing User: Mike Hough
Date Deposited: 14 Jan 2015 15:03
Last Modified: 30 Mar 2021 23:15

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