UVM Home Page
© Copyright 2006

Chapter 10: 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


    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.