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首页> 外文期刊>Acta crystallographica. Section D, Biological crystallography. >The rate of cis-trans conformation errors is increasing in low-resolution crystal structures
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The rate of cis-trans conformation errors is increasing in low-resolution crystal structures

机译：顺反式构象的出错率增加在低分辨率晶体结构

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摘要

Cis-peptide bonds (with the exception of X-Pro) are exceedingly rare in native protein structures, yet a check for these is not currently included in the standard workflow for some common crystallography packages nor in the automated quality checks that are applied during submission to the Protein Data Bank. This appears to be leading to a growing rate of inclusion of spurious cis-peptide bonds in low-resolution structures both in absolute terms and as a fraction of solved residues. Most concerningly, it is possible for structures to contain very large numbers (>1%) of spurious cis-peptide bonds while still achieving excellent quality reports from MolProbity, leading to concerns that ignoring such errors is allowing software to overfit maps without producing telltale errors in, for example, the Ramachandran plot.
机译：顺式债券(X-Pro除外)是极其罕见的天然蛋白结构,但这些不是检查目前包含在标准的工作流程一些常见的晶体学包也在应用在自动化的质量检查提交到蛋白质数据银行。是导致夹杂物的生长速率在低分辨率的顺式债券结构在绝对值和作为部分解决残留。它结构可以包含非常大量虚假的顺式债券(> 1%)同时还实现优良的品质报告从MolProbity,导致担心忽略这些错误是允许软件overfit地图没有产生的错误,例如,拉马钱德兰阴谋。

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