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Femtosecond protein nanocrystallography-data analysis methods

  作者 Kirian, RA; Wang, XY; Weierstall, U; Schmidt, KE; Spence, JCH; Hunter, M; Fromme, P; White, T; Chapman, HN; Holton, J  
  选自 期刊  OPTICS EXPRESS;  卷期  2010年18-6;  页码  5713-5723  
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[摘要]X-ray diffraction patterns may be obtained from individual submicron protein nanocrystals using a femtosecond pulse from a free-electron X-ray laser. Many "single-shot" patterns are read out every second from a stream of nanocrystals lying in random orientations. The short pulse terminates before significant atomic (or electronic) motion commences, minimizing radiation damage. Simulated patterns for Photosystem I nanocrystals are used to develop a method for recovering structure factors from tens of thousands of snapshot patterns from nanocrystals varying in size, shape and orientation. We determine the number of shots needed for a required accuracy in structure factor measurement and resolution, and investigate the convergence of our Monte-Carlo integration method. (C) 2010 Optical Society of America

 
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