Substructure determination in multiwavelength anomalous diffraction, single anomalous diffraction, and single isomorphous replacement with anomalous scattering data using Shake-and-Bake.

G David Smith; Christopher T Lemke; P Lynne Howell

doi:10.1385/1-59745-266-1:183

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Substructure determination in multiwavelength anomalous diffraction, single anomalous diffraction, and single isomorphous replacement with anomalous scattering data using Shake-and-Bake.

G David Smith·Christopher T Lemke·P Lynne Howell

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Abstract

A general method for selenium and sulfur substructure determination using the Shake-and-Bake (SnB) algorithm as implemented in SnB in conjunction with anomalous difference E magnitudes is presented. The protocol can be used for Se-Met multiwavelength anomalous diffraction, seleneomethionine single anomalous diffraction (SAD), S-SAD and S/Se-single isomorphous replacement with anomalous scattering data and with minor modifications for other heavy atom derivatives, such as the location of halides.

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Algorithms Crystallography, X-Ray Proteins Selenium Sulfur Journal Article Research Support, N.I.H., Extramural Research Support, Non-U.S. Gov't

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G David Smith, Christopher T Lemke, P Lynne Howell. 2007. Substructure determination in multiwavelength anomalous diffraction, single anomalous diffraction, and single isomorphous replacement with anomalous scattering data using Shake-and-Bake.. https://doi.org/10.1385/1-59745-266-1%3A183

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