Substructure determination in multiwavelength anomalous diffraction, single anomalous diffraction, and single isomorphous replacement with anomalous scattering data using Shake-and-Bake.
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.
Smith
G David
GD
Structural Biology and Biochemistry, Hospital for Sick Children, Toronto, Ontario, Canada.
Lemke
Christopher T
CT
Howell
P Lynne
PL
D000465:Algorithms; D018360:Crystallography, X-Ray / Q000379:methods*; D011506:Proteins / Q000737:chemistry; D012643:Selenium / Q000737:chemistry; D013455:Sulfur / Q000737:chemistry
D011506:Proteins; D013455:Sulfur; D012643:Selenium