Making sense of SFX data: standards for data and structure validation for a non-standard experiment that has come of age

Smith C.A.

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Making sense of SFX data: standards for data and structure validation for a non-standard experiment that has come of age

机译：Making sense of SFX data: standards for data and structure validation for a non-standard experiment that has come of age

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Innovation and revolution are paramount to the advancement of science and have shaped the ways in which we do research today. The field of structural biology has had multiple drivers of change, the two most recent being the use of X-ray free-electron laser (XFEL) sources for crystallographic data collection (Martin-Garcia et al., 2016), and the ‘resolution revolution’ in cryo-EM, stemming from advances in detectors and image processing (Ku¨ hlbrandt, 2014). In protein crystallography, several advancements have moved this technique forward since the first structures of myoglobin and hemoglobin. These advances include (i) the use of synchrotron radiation (Dauter & Wlodawer, 2016; Phillips et al., 1976); (ii) the application of multiwavelength data collection to the solution of the phase problem (Guss et al., 1988; Hendrickson & Teeter, 1981; Hendrickson et al., 1990); (iii) the advent of cryocrystallography (Hope, 1988; Pflugrath, 2015); (iv) automation (Cohen et al., 2002; Snell et al., 2004) and remote access (Smith et al., 2010; Soltis et al., 2008); and (v) the application of hybrid photon-counting (HPC) detectors (Fo¨ rster et al., 2019; Bro¨ nnimann & Tru¨b, 2018). Additional advances in data analysis and validation, including the use of the free R factor during refinement (Bru¨ nger, 1992), the introduction of Rmeas and Rp.i.m. statistics during data processing (Weiss, 2001) (which have effectively replaced Rmerge in ‘Table 1’), and the use of CC1/2 and CC* (Karplus & Diederichs, 2012), have all contributed to the robustness of the modern protein crystallography experiment.

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《iucrj》 |2021年第4期|482-484|共3页
作者
Smith C.A.;
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Stanford Synchrotron Radiation Lightsource, and Department of Chemistry, Stanford University;

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原文格式 PDF
正文语种英语
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XFELS; SERIAL FEMTOSECOND CRYSTALLOGRAPHY; DATA PROCESSING; VALIDATION;

Making sense of SFX data: standards for data and structure validation for a non-standard experiment that has come of age

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