Ab initio structure determination of a small protein, rubredoxin, by direct methods
Ab initio structure determination of a small protein, rubredoxin, by direct methods
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DOI：
10.1107/s0907444998016679
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发表时间：
1999-04-01
影响因子：
2.2
通讯作者：
Mukherjee, M
中科院分区：
文献类型：
--
作者：
Mukherjee, M
直接方法程序SAYTAN已成功地应用于一种已知的蛋白质，rubredoxin。其含有52个氨基酸残基，包括FeS 4单元、硫酸根离子和102个溶剂水分子。从最初的随机阶段开始，可以从多次试验中获得有用的集合，并通过不同分辨率的品质因数进行选择。相位扩展加权傅立叶循环揭示了一个可识别的结构rubredoxin。使用程序SHELXL93针对1埃分辨率数据将模型细化到14.5%的R因子。
The direct-methods program SAYTAN has been applied successfully to a known protein, rubredoxin. which contains 52 amino-acid residues including an FeS4 unit, a sulfate ion and 102 solvent water molecules. Starting with initially random phases, useful sets can be obtained from multiple trials and selected by figures of merit at different resolutions. Phase extension followed by weighted Fourier recycling reveals a recognizable structure of rubredoxin. The model is refined against 1 Angstrom resolution data to an R factor of 14.5% using the program SHELXL93.