Identifying and Overcoming Crystal Pathologies: Disorder and Twinning.
Identifying and Overcoming Crystal Pathologies: Disorder and Twinning.
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识别和克服晶体病理学：无序和孪生。
DOI：
10.1007/978-1-4939-7000-1_8
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发表时间：
2017
期刊：
影响因子：
--
通讯作者：
Thompson,MichaelC
中科院分区：
文献类型：
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作者：
Thompson,MichaelC
大分子晶体易于发生由异常分子堆积引起的许多病理。在大分子晶体中遇到的两种常见的病理是刚体无序和孪生。当晶体显示这些病理之一时，其衍射图案以通常使结构测定复杂化的方式改变。潜在异常的严重程度因情况而异，有时衍射图案的变化立即明显，而在其他时候，它们可能完全被忽视。根据病理学的具体性质和数据的处理方式，从无序或孪生的晶体中确定结构可能或不可能。本章介绍了这些病理，重点是提供识别和克服它们时，他们对成功的结构测定构成威胁的指导方针。
Macromolecular crystals are prone to a number of pathologies that result from aberrant molecular packing. Two common pathologies encountered in macromolecular crystals are rigid-body disorder and twinning. When a crystal displays one of these pathologies, its diffraction pattern is altered in a way that generally complicates structure determination. The severity of the underlying abnormalities varies from case to case, and sometimes the resulting alterations to the diffraction pattern are immediately obvious, while at other times they may go entirely unnoticed. Structure determination from a crystal that suffers from disorder or twinning may or may not be possible, depending on the specific nature of the pathology, and on how the data are handled. This chapter provides an introduction to these pathologies, with an emphasis on providing guidelines for identifying and overcoming them when they pose a threat to successful structure determination.