What happens when the signs of anomalous differences or the handedness of substructure are inverted?
What happens when the signs of anomalous differences or the handedness of substructure are inverted?
复制标题
当异常差异的迹象或子结构的旋向性反转时会发生什么？
DOI：
10.1107/s0907444907025620
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发表时间：
2007
期刊：
影响因子：
--
通讯作者：
Dauter,Zbigniew
中科院分区：
文献类型：
--
作者：
Wang,Jiawei;Wlodawer,Alexander;Dauter,Zbigniew
基于异常散射和/或同晶差异的大分子晶体结构的正确解决方案需要正确测量反射幅度的异常差异并选择子结构的正确对映异构体。如果此信息错误，则所得电子密度图将不会显示正确的结构特征，但反射相位和图特征将以特定方式与正确的相关。本文旨在解释对 Bijvoet 差异或子结构的误解如何影响所得的相和电子密度图。
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.