Modelling and refining site-specific radiation damage in SAD/MAD phasing

Site-specific radiation damage on anomalously scattering sites can be used to generate additional phase information in standard single- or multi-wavelength anomalous diffraction (SAD or MAD) experiments. In this approach the data are kept unmerged, down to the Harker construction, and the evolution...

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Veröffentlicht in:Journal of synchrotron radiation. - 1994. - 14(2007), Pt 1 vom: 01. Jan., Seite 34-42
1. Verfasser: Schiltz, M (VerfasserIn)
Weitere Verfasser: Bricogne, G
Format: Aufsatz
Sprache:English
Veröffentlicht: 2007
Zugriff auf das übergeordnete Werk:Journal of synchrotron radiation
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Macromolecular Substances
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520 |a Site-specific radiation damage on anomalously scattering sites can be used to generate additional phase information in standard single- or multi-wavelength anomalous diffraction (SAD or MAD) experiments. In this approach the data are kept unmerged, down to the Harker construction, and the evolution of site-specific radiation damage as a function of X-ray irradiation is explicitly modelled and refined in real space. Phasing power is generated through the intensity differences of symmetry-related reflections or repeated measurements of the same reflection recorded at different X-ray doses. In the present communication the fundamentals of this approach are reviewed and different models for the description of site-specific radiation damage are presented. It is shown that, in more difficult situations, overall radiation damage may unfold on a time scale that is similar to the evolution of site-specific radiation damage or to the total time that is required to record a complete data set. In such cases the quality of the phases will ultimately be limited by the effects of overall radiation damage 
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