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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >P1 Shake-and-Bake: can success be guaranteed?
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P1 Shake-and-Bake: can success be guaranteed?

机译:P1 Shake-and-Bake:成功可以保证吗?

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摘要

The multi-trial direct-methods procedure known as Shake-and-Bake has been applied to three small proteins (alpha-1 peptide, vancomycin and lysozyme) that crystallize in space group P1. Phase refinement was accomplished through parameter-shift optimization using both the cosine and exponential forms of the minimal function. By extending error-free data to sufficiently high resolution, 100% convergence of trial structures to solution could be achieved in all three cases by using the exponential minimal function and a shift angle in the range 130-150°. These results suggest optimum parameters for other P1 structures and emphasize the importance of collecting data to the highest possible resolution.
机译:被称为multi-trial的直接方法过程Shake-and-Bake已经应用于三个小蛋白(alpha -肽,万古霉素和溶菌酶)在空间群P1结晶。细化阶段通过parameter-shift优化使用余弦函数和指数形式的最小函数。足够高分辨率,100%的融合试验结构解决方案可以实现所有三例使用指数最小功能和转变角度范围130 - 150°。这些结果表明最佳参数其他P1结构和强调尽可能多的收集数据决议。

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