Development of “Parameter space screening”-based single-wavelength anomalous diffraction phasing and structure determination pipeline
Ding Wei1, 2, ‡, Wang Xiao-Ting2, Yi Yang-Yang3
       

Plot of figure-of-merit–weighted mean phase error (FOM–wMPE) for T3 datasets. Heavy-atom sites (horizontal axis) are screened for the best FOM–wMPE value (vertical axis). When the site number equals the number of disulphide bonds in the structure, FOM–wMPE produced the lowest value. The FOM–wMPE value is calculated by using initial phases (output by SHELXE) against the deposited structure.