What happens when the signs of anomalous differences or the handedness of substructure are inverted?
Proper solution of a macromolecular crystal structure based on anomalous scattering and/or isomorphous differences requires that the anomalous differences in reflection amplitudes be measured properly and that the correct enantiomer of the substructure be selected. If this information is wrong then the resulting electron-density maps will not show the correct structural features, but the reflection phases and map features will be related to the correct ones in a specific way. This text aims to explain how misinterpretation of the Bijvoet differences or of the substructure affects the resulting phases and electron-density maps.
Wang
Jiawei
J
SAIC-Frederick Inc., USA.
Wlodawer
Alexander
A
Dauter
Zbigniew
Z
D000465:Algorithms; D003460:Crystallization; D046911:Macromolecular Substances / Q000737:chemistry*; D008968:Molecular Conformation; D014961:X-Ray Diffraction
D046911:Macromolecular Substances