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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >NCS-constrained exhaustive search using oligomeric models.
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NCS-constrained exhaustive search using oligomeric models.

机译：使用低聚物的NCS-constrained穷举搜索模型。

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摘要

The efficiency of the cross-rotation function step of molecular replacement (MR) is intrinsically limited as it uses only a fraction of the Patterson vectors. Along with general techniques extending the boundaries of the method, there are approaches that utilize specific features of a given structure. In special cases, where the directions of noncrystallographic symmetry axes can be unambiguously derived from the self-rotation function and the structure of the homologue protein is available in a related oligomeric state, the cross-rotation function step of MR can be omitted. In such cases, a small number of yet unknown parameters defining the orientation of the oligomer and/or its internal organization can be optimized using an exhaustive search. Three difficult MR cases are reported in which these parameters were determined and the oligomer was positioned according to the maximal value of the correlation coefficient in a series of translation searches.
机译：cross-rotation函数步骤的效率分子置换(先生)本质上是有限的,因为它只使用的一小部分帕特森向量。扩展的边界方法,有方法利用的具体特性鉴于结构。方向noncrystallographic对称的轴可以明确地来源于固有转动功能和结构的有一个相关的同族体蛋白质低聚物的状态,cross-rotation函数先生的步骤可以省略。数量的未知参数定义取向的低聚物和/或其内部组织可以使用一个详尽的优化搜索。这些参数测定和低聚物位置是根据最大一个系列的相关系数的价值翻译搜索。

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