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首页> 外文期刊>Acta crystallographica. Section D, Biological crystallography. >On the accuracy of unit-cell parameters in protein crystallography
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On the accuracy of unit-cell parameters in protein crystallography

机译：在蛋白质晶胞参数的准确性晶体学

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摘要

The availability in the Protein Data Bank (PDB) of a number of structures that are presented in space group P1 but in reality possess higher symmetry allowed the accuracy and precision of the unit-cell parameters of the crystals of macromolecules to be evaluated. In addition, diffraction images from crystals of several proteins, previously collected as part of in-house projects, were processed independently with three popular software packages. An analysis of the results, augmented by published serial crystallography data, suggests that the apparent precision of the presentation of unit-cell parameters in the PDB to three decimal points is not justified, since these parameters are subject to errors of not less than 0.2%. It was also noticed that processing data including full crystallographic symmetry does not lead to deterioration of the refinement parameters; thus, it is not beneficial to treat the crystals as belonging to space group P1 when higher symmetry can be seen.
机译：蛋白质数据库(PDB)的可用性提出了一系列结构空间群P1但实际上拥有更高对称允许的准确性和精度晶体的晶胞参数大分子被评估。从晶体的衍射图像蛋白质,以前收集的一部分内部项目,独立处理有三个受欢迎的软件包。的结果,加上连续出版晶体学数据,表明明显精确的晶胞的表示参数在PDB三个小数点不合理的,因为这些参数是主题错误的不少于0.2%。注意到处理数据包括完整晶体对称不会导致恶化的优化参数;不是有益的治疗晶体属于空间群P1时更高的对称性可以看到。

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