Interactive model building in neutron macromolecular crystallography

被引：7
|
作者：
Logan, Derek T. [1 ]
机构：
[1] Lund Univ, Dept Chem, Sect Biochem & Struct Biol, Lund, Sweden
来源：
NEUTRON CRYSTALLOGRAPHY IN STRUCTURAL BIOLOGY | 2020年 / 634卷
关键词：
X-RAY; REFINEMENT; HYDROGEN;
D O I：
10.1016/bs.mie.2019.11.017
中图分类号：
Q5 [生物化学];
学科分类号：
071010 ; 081704 ;
摘要：
This chapter aims to give an overview of the process of interactive model building in macromolecular neutron crystallography for the researcher transitioning from X-ray crystallography alone. The two most popular programs for refinement and model building, phenix.refine and Coot, respectively, are used as examples, and familiarity with the programs is assumed. Some work-arounds currently required for proper communication between the programs are described. We also discuss the appearance of nuclear density maps and how this differs from that of electron density maps. Advice is given to facilitate deposition of jointly refined neutron/X-ray structures in the Protein Data Bank.
引用
收藏
页码：201 / 224
页数：24
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