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分子置换的前后情况。

The befores and afters of molecular replacement.

作者信息

Dodson Eleanor

机构信息

York Structural Biology Laboratory, Chemistry Department, University of York, York YO10 5DD, England.

出版信息

Acta Crystallogr D Biol Crystallogr. 2008 Jan;64(Pt 1):17-24. doi: 10.1107/S0907444907049736. Epub 2007 Dec 5.

Abstract

This review addresses the essential questions to consider when attempting to phase a new crystal structure using molecular replacement. Sequence matching can suggest whether there is a suitable three-dimensional model available, but it is also important to analyse the model in order to find its likely oligomeric state and to establish whether there are likely to be domain movements. Once a solution has been found it must be refined, which can be challenging for low-homology models. There is a detailed discussion of structures used as examples for CCP4 tutorials.

摘要

本综述探讨了在尝试使用分子置换法解析新晶体结构时需要考虑的关键问题。序列匹配可以提示是否有合适的三维模型可用,但分析该模型以确定其可能的寡聚状态并确定是否可能存在结构域移动也很重要。一旦找到解决方案,就必须对其进行优化,这对于低同源性模型来说可能具有挑战性。文中对用作CCP4教程示例的结构进行了详细讨论。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0a6d/2644928/83d1cfafe7aa/d-64-00017-fig1.jpg

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