DEVELOPMENT OF TECHNIQUES FOR IMPROVED MAD PHASING: RAPID STRUCTURE SOLVING

$0P41FY2002RRNIH

Brookhaven Science Assoc-Brookhaven Lab, Upton NY

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Abstract

We plan to develop methods that will extend the applicability of the multiwavelength anomalous diffraction (MAD) method to structures with as many as 50 anomalous scattering atoms. These methods will be highly automated and will enable the steps between MAD data collection and map calculation to be accomplished without human intervention. The approaches will be tested and developed at beamline X1 2C at the NSLS by setting up procedures for automated structure determination that users can follow as soon as they collect their x-ray diffraction data.

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