Open AccessWhat happens when the signs of anomalous differences or the handedness of substructure are inverted?
Author(s) -
Wang Jiawei,
Wlodawer Alexander,
Dauter Zbigniew
Publication year - 2007
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
ISSN - 1399-0047
DOI - 10.1107/s0907444907025620
Subject(s) - substructure , reflection (computer programming) , anomalous scattering , electron density , scattering , physics , crystal (programming language) , crystal structure , electron , crystallography , condensed matter physics , optics , chemistry , computer science , quantum mechanics , structural engineering , engineering , programming language
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.