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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >Direct-method SAD phasing with partial-structure iteration: towards automation.
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Direct-method SAD phasing with partial-structure iteration: towards automation.

机译：直接法悲伤与局部结构逐步迭代:对自动化。

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摘要

The probability formula of direct-method SAD (single-wavelength anomalous diffraction) phasing proposed by Fan & Gu (1985, Acta Cryst. A41, 280-284) contains partial-structure information in the form of a Sim-weighting term. Previously, only the substructure of anomalous scatterers has been included in this term. In the case that the subsequent density modification and model building yields only structure fragments, which do not straightforwardly lead to the complete solution, the partial structure can be fed back into the Sim-weighting term of the probability formula in order to strengthen its phasing power and to benefit the subsequent automatic model building. The procedure has been tested with experimental SAD data from two known proteins with copper and sulfur as the anomalous scatterers.
机译：直接法的概率公式悲伤(单波长反常衍射)定相提出的风扇和顾(1985年,学报。280 - 284年)包含局部结构信息的形式Sim-weighting术语。唯一反常散射的子结构被包含在这一项。随后的密度和模型修改构建收益率只有结构片段,不直接导致完整的解决方案,可以反馈的部分结构Sim-weighting词的概率公式,以加强其逐步权力并对后续自动模式建筑。实验悲伤数据从两个已知的蛋白质以铜和硫为异常

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