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【学术陈诉】Direct phasing of protein crystals
时间:2019-09-02  来源:淮師新聞網  作者:温世正  点击:

【学术陈诉】Direct phasing of protein crystals

陈诉人:何洪兴  博士

時 間:2019年9月2日(周一)下午15:00

地 點:長江路校區理工北樓204會議室

主 辦:物理與電子電氣工程學院

江蘇省現代檢測技術與智能系統重點建設實驗室

淮安市物理學會

陈诉内容:The structure of a protein is built from its electron density mapwhich could be calculated by a Fourier transform. The magnitudes of the Fouriercoefficients are recorded by the X-ray diffraction pattern of the proteincrystal. The phases of the Fourier coefficients are lost. Solving the phaseproblem is crucial for building the model of a protein structure.

An iterative transformmethod is proposed for solving the phase problem in protein crystallography. Ineach iteration, a weighted average electron-density map is constructed todefine an estimated protein mask. Density modifications are then imposed throughthe histogram matching technique in the protein region, and the hybridinput–output algorithm in the solvent region. Starting from random initialphases, after thousands of iterations the calculated protein mask evolves intothe correct shape and the phases converge to the correct values with an averageerror of for high-resolution data forseveral protein crystals with high solvent content. With the use of non-crystallographicsymmetry and other density constraints, the method has been extended to phaseprotein crystals with less than 50% solvent fraction. The new phasing algorithmcan supplement and enhance the traditional refinement tools.

References:

1. Hongxing He, M. Jiang& W.-P. Su, “Direct phasing of protein crystals with non-crystallographicsymmetry”, Crystals, 9, 55, 2019.

2. Hongxing He & W.-P. Su, “Improvingthe convergence rate of a hybrid-input-output phasing algorithm by varying thereflection data weight”, Acta Crystallographica A: Foundations and Advances,74, 36-43, 2018.

3. Hongxing He, H. Fang, M. D. Miller, G.N. Phillips, Jr., & W.-P. Su, “Improving the efficiency of molecularreplacement by utilizing a new iterative transform phasing algorithm”, ActaCrystallographica A: Foundations and Advances, 72, 539-547, 2016.

4. Hongxing He & W.-P. Su, “Direct phasing of protein crystals withhigh solvent content”, Acta Crystallographica A: Foundations and Advances 71,92-98, 2015.

報告人簡介:何洪興博士主要致力于開發結構生物學的計算算法。2006年南京大學物理系物理學專業畢業,同年就讀于南京大學物理系理論物理專業(碩士),2009年赴美國休斯敦大學物理系攻讀博士學位,2015年6月—2018年8月于美國休斯敦大學物理系從事博士後研究。



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