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关于<|E|2>(d*)曲线的解读与应用。

On the interpretation and use of <|E|2>(d*) profiles.

作者信息

Morris Richard J, Blanc Eric, Bricogne Gérard

机构信息

Global Phasing Ltd, Sheraton House, Castle Park, Cambridge CB3 0AX, England.

出版信息

Acta Crystallogr D Biol Crystallogr. 2004 Feb;60(Pt 2):227-40. doi: 10.1107/S0907444903025538. Epub 2004 Jan 23.

Abstract

Profiles of squared normalized structure factors, <|E|(2)>(d*), have been computed for a large number of proteins and nucleic acids. These are interpreted in terms of their underlying structural features. It is also shown that the 'solvent dip' at around 6.3 A resolution is to a large extent a protein secondary-structure effect that is enhanced by the water structure. A hierarchical classification of protein structures based on their <|E|(2)>(d*) profiles is briefly outlined, together with the use of <|E|(2)>(d*) profiles as an improvement over Wilson absolute scale estimation and as a novel solvent-modelling method.

摘要

已针对大量蛋白质和核酸计算了平方归一化结构因子<|E|²>(d*)的分布图。这些分布图根据其潜在的结构特征进行了解释。研究还表明,在约6.3 Å分辨率处的“溶剂凹陷”在很大程度上是一种蛋白质二级结构效应,这种效应会因水的结构而增强。简要概述了基于<|E|²>(d*)分布图对蛋白质结构进行的层次分类,以及将<|E|²>(d*)分布图用作对威尔逊绝对标度估计的改进方法和一种新型溶剂建模方法。

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