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首页> 外文期刊>IUCrJ >A comparative anatomy of protein crystals: lessons from the automatic processing of 56 000 samples
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A comparative anatomy of protein crystals: lessons from the automatic processing of 56 000 samples

机译：蛋白质晶体的比较解剖：自动处理56 000个样本的经验教训

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摘要

The fully automatic processing of crystals of macromolecules has presented a unique opportunity to gather information on the samples that is not usually recorded. This has proved invaluable in improving sample-location, characterization and data-collection algorithms. After operating for four years, MASSIF-1 has now processed over 56 000 samples, gathering information at each stage, from the volume of the crystal to the unit-cell dimensions, the space group, the quality of the data collected and the reasoning behind the decisions made in data collection. This provides an unprecedented opportunity to analyse these data together, providing a detailed landscape of macromolecular crystals, intimate details of their contents and, importantly, how the two are related. The data show that mosaic spread is unrelated to the size or shape of crystals and demonstrate experimentally that diffraction intensities scale in proportion to crystal volume and molecular weight. It is also shown that crystal volume scales inversely with molecular weight. The results set the scene for the development of X-ray crystallography in a changing environment for structural biology.
机译：高分子晶体的全自动处理为收集通常不记录的样品信息提供了独特的机会。事实证明，这对于改善样本位置，特征和数据收集算法具有不可估量的价值。在运行了四年之后，MASSIF-1现在已经处理了超过56 samples000个样本，在每个阶段收集信息，从晶体的体积到晶胞尺寸，空间群，收集的数据质量以及背后的原因数据收集中的决策。这提供了前所未有的机会来一起分析这些数据，提供了大分子晶体的详细图景，其内容的详尽信息，以及重要的是两者之间的关系。数据表明，镶嵌扩散与晶体的大小或形状无关，并通过实验证明了衍射强度与晶体的体积和分子量成正比。还表明晶体体积与分子量成反比。结果为在不断变化的结构生物学环境中发展X射线晶体学奠定了基础。

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