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Properties of an electron-density map derived from a limited number of experimentally determined triplet phases

机译:电子密度图的属性来自数量有限的实验确定三重态阶段

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In a previous communication [Weckert et al. (1999). Acta Cryst. D55, 1320-1328], the feasibility of the measurement of a large set of triplet phases by three-beam interference was demonstrated. This paper reports the methodology for the calculation of an electron-density map from this limited amount of experimental phase information and the map's properties with respect to model building and refinement. The tetragonal form of hen egg-white lysozyme (HEWL) was chosen as a test structure for the development of this method. The quality of the electron-density map obtained from all measured triplet phases allows a straightforward and nearly complete interpretation. The starting model was refined to a final R value of 17.4%. In a second step, the minimum number of phased reflections needed for the interpretation of an electron-density map was investigated, applying criteria based on |F| and resolution.
机译:在之前的沟通(Weckert et al。(1999)。大量的测量的可行性三联体阶段由三光束干涉演示。电子密度图的计算从这有限的实验阶段关于信息和地图的属性模型建立和细化。形式的母鸡蛋清溶菌酶(HEWL)被选中作为一个测试结构的发展方法。从所有测量三联体阶段获得允许一个简单的和接近完成解释。最后一个R值的17.4%。所需的最小数量的阶段性反思电子密度图的解释调查,基于F | |和应用标准决议。

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