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为RIP分割数据集。

Segmenting data sets for RIP.

作者信息

de Sanctis Daniele, Nanao Max H

机构信息

Structural Biology Group, European Synchrotron Radiation Facility, Grenoble, France.

出版信息

Acta Crystallogr D Biol Crystallogr. 2012 Sep;68(Pt 9):1152-62. doi: 10.1107/S0907444912023475. Epub 2012 Aug 18.

Abstract

Specific radiation damage can be used for the phasing of macromolecular crystal structures. In practice, however, the optimization of the X-ray dose used to `burn' the crystal to induce specific damage can be difficult. Here, a method is presented in which a single large data set that has not been optimized in any way for radiation-damage-induced phasing (RIP) is segmented into multiple sub-data sets, which can then be used for RIP. The efficacy of this method is demonstrated using two model systems and two test systems. A method to improve the success of this type of phasing experiment by varying the composition of the two sub-data sets with respect to their separation by image number, and hence by absorbed dose, as well as their individual completeness is illustrated.

摘要

特定的辐射损伤可用于大分子晶体结构的相位测定。然而在实际操作中,用于“烧蚀”晶体以诱导特定损伤的X射线剂量的优化可能很困难。本文提出了一种方法,即将一个未针对辐射损伤诱导相位测定(RIP)进行任何优化的单一大数据集分割成多个子数据集,然后可将这些子数据集用于RIP。使用两个模型系统和两个测试系统证明了该方法的有效性。还阐述了一种通过改变两个子数据集在图像编号方面的分离情况(从而改变吸收剂量)及其各自的完整性来提高此类相位测定实验成功率的方法。

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