What's in a drop? Correlating observations and outcomes to guide macromolecular crystallization experiments.

What's in a drop? Correlating observations and outcomes to guide macromolecular crystallization experiments.
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DOI:
10.1021/cg1013945
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发表时间:
2011-03-02
影响因子:
3.8
通讯作者:
Snell, Edward H.
Snell, Edward H.
中科院分区:
化学2区
文献类型:
--
作者:
Luft, Joseph R.;Wolfley, Jennifer R.;Snell, Edward H.

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结晶实验的观察结果被分类为特定结果,并通过相图进行整合,以可视化溶解度,从而指导后续实验。具体示例取自我们的高通量结晶实验室,该实验室提供了 12,500 种不同生物大分子的 2000 万次结晶实验的广泛数据。这些方法和基本原理广泛且普遍适用于任何结晶实验室。通过结晶混合物的不完整因子抽样、标准结果分类、化学相关结果的可视化以及简单相图方法的应用,我们演示了如何逻辑地设计后续结晶实验。
Observations of crystallization experiments are classified as specific outcomes and integrated through a phase diagram to visualize solubility and thereby direct subsequent experiments. Specific examples are taken from our high-throughput crystallization laboratory which provided a broad scope of data from 20 million crystallization experiments on 12,500 different biological macromolecules. The methods and rationale are broadly and generally applicable in any crystallization laboratory. Through a combination of incomplete factorial sampling of crystallization cocktails, standard outcome classifications, visualization of outcomes as they relate chemically and application of a simple phase diagram approach we demonstrate how to logically design subsequent crystallization experiments.
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