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首页> 外文期刊>Acta crystallographica. Section D, Biological crystallography. >The interdependence of wavelength, redundancy and dose in sulfur SAD experiments
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The interdependence of wavelength, redundancy and dose in sulfur SAD experiments

机译：波长的相互依存,冗余和剂量的硫悲伤的实验

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In the last decade, the popularity of sulfur SAD anomalous dispersion experiments has spread rapidly among synchrotron users as a quick and streamlined way of solving the phase problem in macromolecular crystallography. On beamline 10 at SRS (Daresbury Laboratory, UK), a versatile design has allowed test data sets to be collected at six wavelengths between 0.979 and 2.290 ? in order to evaluate the importance and the interdependence of experimental variables such as the Bijvoet ratio, wavelength, resolution limit, data redundancy and absorbed X-ray dose in the sample per data set. All the samples used in the experiments were high-quality hen egg-white lysozyme crystals. X-radiation damage was found to affect disulfide bridges after the crystals had been given a total dose of 0.20 ? 107 Gy. However, with such a total dose, it was still possible in all cases to find a strategy to collect data sets to determine the sulfur substructure and produce good-quality phases by choosing an optimum combination of wavelength, exposure time and redundancy. A 〈|Δano|/δ(Δ ano)〉 greater than 1.5 for all resolution shells was a necessary requirement for successful sulfur SAD substructure location. Provided this is achieved, it seems possible to find an optimum compromise between wavelength, redundancy and dose to provide phasing information. The choice of the wavelength should then follow the sample composition and the diffracting properties of the crystal. For strongly diffracting crystals, wavelengths equal or shorter than 1.540 ? can be selected to capture the available data (provided the Bijvoet ratio is reasonable), while a longer wavelength, to gain as high a Bijvoet ratio as possible, must be used for more weakly diffracting crystals. These results suggest that an approach to a sulfur SAD experiment based on a complete description of the crystal system and the instrument for data collection is useful.
机译：在过去的十年中,硫的流行悲伤反常色散实验已经扩散作为一个快速、迅速同步用户流线型的阶段问题的解决方法大分子晶体学。SRS(位于达斯伯里实验室,英国),多才多艺设计允许测试数据集收集六波长在0.979和2.290之间?为了评估重要性和相互依存的实验变量等毕吉伯比率、波长分辨率限制,数据冗余和吸收x射线剂量每个数据集的例子。母鸡实验优质蛋白溶菌酶晶体。影响二硫桥后的晶体了总剂量为0.20 ?然而,这样的总剂量,它仍然是可能在所有的情况下找到一个策略收集的数据集来确定硫子结构和生产高质量的阶段选择一个波长的最佳组合,曝光时间和冗余。是一个大于1.5的所有决议贝壳必要的要求成功的硫悲伤子结构位置。似乎有可能找到一个最佳的妥协波长之间的冗余和剂量提供逐步的信息。波长应该按照样品组合和的衍射特性晶体。波长等于或小于1.540 ?选择捕获(提供可用的数据毕吉伯比例是合理的),而较长波长,获得高毕吉伯比率可能的话,必须用于更弱衍射晶体。一个方法基于硫悲伤实验水晶系统的完整描述数据收集的工具是有用的。

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