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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >Locating proper non-crystallographic symmetry in low-resolution electron-density maps with the program GETAX.
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Locating proper non-crystallographic symmetry in low-resolution electron-density maps with the program GETAX.

机译：定位正确non-crystallographic对称低分辨率的电子密度的地图程序GETAX。

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摘要

Non-crystallographic symmetry averaging for improving and extending an initial set of phases can be crucial at an early stage of a protein structure analysis. A method is described which detects the position of a proper rotation axis in a surprisingly poor electron-density map and is fast enough to run through a large number of axis orientations. It uses a simple multimer mask to define the searching unit, which is then shifted through the whole unit cell looking for the position with the highest correlation coefficient between the interrelated parts. Appropriate weighting and averaging enhances the signal-to-noise ratio. Examples of the application of this algorithm are given. The use of the local rotation axis for phasing is commented on. A search of the Protein Data Bank showed that 27% of the unique crystal forms contain proper local n-fold axes, which could have been located with the presented method.
机译：Non-crystallographic对称平均为改善和扩展一组初始的阶段可以在早期阶段至关重要的蛋白质结构分析。检测到一个合适的旋转轴的位置令人惊讶的可怜的电子密度图,足够快的速度穿越大量的轴取向。定义搜索单元,然后发生了变化在整个单元细胞寻找相关系数最高的位置之间的相互关联的部分。加权平均提高了信噪比。该算法的应用。定相是当地的旋转轴评论。显示,27%的独特晶体形式包含适当的当地n次坐标轴,这可能定位的方法。

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