Automatic structure determination based on the single-wavelength anomalous diffraction technique away from an absorption edge

Leonard GA; Sainz G; de Backer MMEMcSweeney S

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Automatic structure determination based on the single-wavelength anomalous diffraction technique away from an absorption edge

机译：自动确定基于结构单波长反常衍射技术远离一个吸收边

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The phasing of macromolecular structures based on the use of the single-wavelength anomalous diffraction method has recently enjoyed a revival. Here, additional evidence is provided that the method may be successfully applied at wavelengths remote from the absorption edge of interest and that it is in principle applicable to a large number of systems. This Opens up the possibility of rapid and reliable automatic de novo structure determination using simple experimental configurations with no need for wavelength tunability or absorption-edge scanning. The method should therefore be exploitable at most synchrotron beamlines. The effects of data completeness and multiplicity on the quality of the phases obtained are discussed as are the prospects for the automation of macromolecular structure solution based on the experimental protocols described.

机译：定相的大分子结构的基础上使用单波长反常最近喜欢一个衍射方法复兴。该方法可以成功地应用于波长远离的吸收边缘兴趣和原则上适用大量的系统。快速和可靠的自动de的可能性新生使用简单结构的决心实验配置不需要波长可调谐性或吸收边沿扫描。利用同步beamlines。数据完整性和多样性的影响阶段获得的质量进行了讨论自动化的前景也一样基于大分子结构的解决方案实验协议描述。

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《Acta crystallographica.Section D. Biological crystallography》 |2005年第4期|388-396|共9页
作者
Leonard GA; Sainz G; de Backer MMEMcSweeney S;
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作者单位

European Synchrotron Radiat Facil, F-38043 Grenoble, France;

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正文语种英语
中图分类化学;
关键词
Anomalous; DIFFRACTION TECHNIQUES; Alkaline Phosphatasecounting systemCrystallographyData QualityResolving powerX-raysAbsorption edgesmolecular structure;

机译：异常;衍射技术;碱性Phosphatasecounting systemCrystallographyDataQualityResolving powerX-raysAbsorptionedgesmolecular结构;

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Automatic structure determination based on the single-wavelength anomalous diffraction technique away from an absorption edge

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