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Optimal fine ϕ-slicing for single-photon-counting pixel detectors

机译:单光子计数像素检测器的最佳精细s切片

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摘要

The data-collection parameters used in a macromolecular diffraction experiment have a strong impact on data quality. A careful choice of parameters leads to better data and can make the difference between success and failure in phasing attempts, and will also result in a more accurate atomic model. The selection of parameters has to account for the application of the data in various phasing methods or high-resolution refinement. Furthermore, experimental factors such as crystal characteristics, available experiment time and the properties of the X-ray source and detector have to be considered. For many years, CCD detectors have been the prevalent type of detectors used in macromolecular crystallography. Recently, hybrid pixel X-ray detectors that operate in single-photon-counting mode have become available. These detectors have fundamentally different characteristics compared with CCD detectors and different data-collection strategies should be applied. Fine ϕ-slicing is a strategy that is particularly well suited to hybrid pixel detectors because of the fast readout time and the absence of readout noise. A large number of data sets were systematically collected from crystals of four different proteins in order to investigate the benefit of fine ϕ-­slicing on data quality with a noise-free detector. The results show that fine ϕ-slicing can substantially improve scaling statistics and anomalous signal provided that the rotation angle is comparable to half the crystal mosaicity.
机译:大分子衍射实验中使用的数据收集参数对数据质量有很大影响。仔细选择参数可以得到更好的数据,并且可以使定相尝试的成功与失败有所不同,并且还可以使原子模型更准确。参数的选择必须考虑到数据在各种定相方法或高分辨率优化中的应用。此外,必须考虑诸如晶体特性,可用的实验时间以及X射线源和检测器的特性等实验因素。多年以来,CCD检测器一直是大分子晶体学中使用的检测器类型。近来,以单光子计数模式操作的混合像素X射线检测器已经可用。与CCD探测器相比,这些探测器具有根本不同的特性,应采用不同的数据收集策略。精细的time切片是一种策略,由于快速的读取时间和没有读取噪声,因此特别适合混合像素检测器。为了研究使用无噪声检测器进行精细ϕ切片对数据质量的好处,系统地从四种不同蛋白质的晶体中收集了大量数据集。结果表明,只要旋转角与晶体镶嵌度的一半相当,精细的ϕ切片就可以显着改善缩放统计和异常信号。

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