Determination of a novel structure by a combination of long-wavelength sulfur phasing and radiation-damage-induced phasing.

Weiss MS; Mander G; Hedderich RDiederichs KErmler UWarkentin E

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Determination of a novel structure by a combination of long-wavelength sulfur phasing and radiation-damage-induced phasing.

机译：小说结构的决心结合长波长硫定相radiation-damage-induced定相。

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The structure of the 115 amino-acid residue protein DsvC was determined based on the anomalous scattering provided by the five S atoms present in the structure. By collecting the diffraction data at a wavelength of 1.9 A, the anomalous signal provided by the S atoms was enhanced. However, significant radiation damage occurred during the course of the experiment, which led to differences between different parts of the data set. Only by dividing the total data set into five data sets was it possible to obtain phases; these could then be successfully extended to allow structure determination by the automated model-building program ARP/wARP. A computational correction for the radiation damage was found to significantly improve the success rate in determining the heavy-atom substructure and to improve phasing and refinement statistics.

机译：115个氨基酸残基的结构蛋白质DsvC决心的基础上反常散射提供的5 S原子在结构。波长的衍射数据,1.9S原子提供的异常信号增强。发生在实验的过程中,导致了不同地区之间的差异的数据集。设置为五个数据集获取成为可能阶段;自动允许结构的决心模型程序ARP /变形。修正为辐射损伤被发现显著提高成功率确定重原子子结构和逐步改善和细化统计数据。

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《Acta crystallographica.Section D. Biological crystallography》 |2004年第4期|686-695|共10页
作者
Weiss MS; Mander G; Hedderich RDiederichs KErmler UWarkentin E;
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作者单位

EMBL Hamburg Outstation, c/o DESY, Notkestrasse 85, D-22603 Hamburg, Germany.;

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正文语种英语
中图分类化学;
关键词
wavelengths; Phase; phasinanomalous scatteringLONG WAVELENGTHSRadiation InjuriesDataset;

机译：波长,相位;phasinanomalous scatteringLONGWAVELENGTHSRadiation InjuriesDataset;

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Determination of a novel structure by a combination of long-wavelength sulfur phasing and radiation-damage-induced phasing.

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