二维晶体的相位问题。II. 模拟
The phase problem for two-dimensional crystals. II. Simulations.
作者信息
Arnal Romain D, Zhao Yun, Mitra Alok K, Spence John C H, Millane Rick P
机构信息
Computational Imaging Group, Department of Electrical and Computer Engineering, University of Canterbury, Christchurch, New Zealand.
Department of Physics, Arizona State University, Tempe, USA.
出版信息
Acta Crystallogr A Found Adv. 2018 Sep 1;74(Pt 5):537-544. doi: 10.1107/S2053273318008707.
Phasing of diffraction data from two-dimensional crystals using only minimal molecular envelope information is investigated by simulation. Two-dimensional crystals are an attractive target for studying membrane proteins using X-ray free-electron lasers, particularly for dynamic studies at room temperature. Simulations using an iterative projection algorithm show that phasing is feasible with fairly minimal molecular envelope information, supporting recent uniqueness results for this problem [Arnal & Millane (2017). Acta Cryst. A73, 438-448]. The effects of noise and likely requirements for structure determination using X-ray free-electron laser sources are investigated.
通过模拟研究了仅使用最小分子包络信息对二维晶体衍射数据进行相位测定的方法。二维晶体是使用X射线自由电子激光研究膜蛋白的一个有吸引力的目标，特别是对于室温下的动态研究。使用迭代投影算法的模拟表明，利用相当少的分子包络信息进行相位测定是可行的，这支持了该问题最近的唯一性结果[阿尔纳尔和米兰（2017年）。《晶体学报》A73，438 - 448]。研究了噪声的影响以及使用X射线自由电子激光源进行结构测定可能的要求。
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