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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >With phases: how two wrongs can sometimes make a right.
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With phases: how two wrongs can sometimes make a right.

机译：阶段:两个错误有时会如何正确的。

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摘要

In isolation, both weak isomorphous/anomalous difference signals from heavy-atom derivatization and phases from partial molecular-replacement solutions for a subset of the asymmetric unit often fall short of producing interpretable electron-density maps. Phases generated from very partial molecular-replacement models (if generated carefully) can be used to reliably locate heavy-atom sites, even if the signal is not sufficiently strong to allow robust finding of the sites using Patterson interpretation or direct methods. Additional advantages are that using molecular-replacement phases to define the heavy-atom substructure avoids the need for subsequent hand determination and/or origin-choice reconciliation and that the partial model can be used to aid the mask determination during solvent flattening. Two case studies are presented in which it was only by combining experimental and molecular-replacement phasing approaches that the crystal structures could be determined.
机译：在隔离,弱同形/异常差分信号重原子衍生化并从部分molecular-replacement阶段解决方案的一个子集不对称单位经常达不到生产的解释电子密度图。部分(如果molecular-replacement模型仔细)可以用来可靠地生成的定位重原子站点,即使信号不够强大,允许强大的发现的网站或使用帕特森解释直接的方法。使用molecular-replacement阶段定义重原子子结构避免的需要随后的决心和/或origin-choice和解和部分模型可用于援助面具的决心在溶剂压扁。提出只有通过结合实验和molecular-replacement逐步方法,晶体结构确定。

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