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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >Challenges and solutions for the analysis of in situ, in crystallo micro-spectrophotometric data
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Challenges and solutions for the analysis of in situ, in crystallo micro-spectrophotometric data

机译：挑战和解决方案的分析原地,crystallo micro-spectrophotometric数据

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摘要

Combining macromolecular crystallography with in crystallo micro-spectrophotometry yields valuable complementary information on the sample, including the redox states of metal cofactors, the identification of bound ligands and the onset and strength of undesired photochemistry, also known as radiation damage. However, the analysis and processing of the resulting data differs significantly from the approaches used for solution spectrophotometric data. The varying size and shape of the sample, together with the suboptimal sample environment, the lack of proper reference signals and the general influence of the X-ray beam on the sample have to be considered and carefully corrected for. In the present article, how to characterize and treat these sample-dependent artefacts in a reproducible manner is discussed and the SLS-APEin situ, in crystallo optical spectroscopy data-analysis toolbox is demonstrated.
机译：大分子晶体学结合crystallo显微分光光度测定法收益率有价值补充信息样本,包括金属代数余子式的氧化还原状态,结合配体的识别和发病和力量的不受欢迎的光化学被称为辐射损伤。和处理的数据不同显著的方法解决光谱光度测量的数据。大小和形状的样品,一起非最优样本环境,缺乏适当的参考信号和普遍的影响样品的x射线仔细考虑和修正。本文,如何描述和治疗这些的文物可再生的方式和讨论SLS-APEin原地,crystallo光学光谱数据分析工具箱。

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