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Crystals 2019, 9(1), 55; https://doi.org/10.3390/cryst9010055

Direct Phasing of Protein Crystals with Non-Crystallographic Symmetry

Department of Physics and Texas Center for Superconductivity, University of Houston, Houston, TX 77204, USA
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Received: 23 December 2018 / Revised: 13 January 2019 / Accepted: 15 January 2019 / Published: 18 January 2019
(This article belongs to the Special Issue Protein Crystallography)
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Abstract

An iterative projection algorithm proposed previously for direct phasing of high-solvent-content protein crystals is extended to include non-crystallographic symmetry (NCS) averaging. For proper NCS, when the NCS axis is positioned, the molecular envelope can be automatically rebuilt. For improper NCS, when the NCS axis and the translation vector are known, the molecular envelope can also be automatically reconstructed. Some structures with a solvent content of around 50% could be directly solved using this ab initio phasing method. Trial calculations are described to illustrate the methodology. Real diffraction data are used and the calculated phases are good for automatic model building. The refinement of approximate NCS parameters is discussed. View Full-Text
Keywords: non-crystallographic symmetry; hybrid input-output; iterative projection algorithm; ab initio phasing; protein crystallography non-crystallographic symmetry; hybrid input-output; iterative projection algorithm; ab initio phasing; protein crystallography
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He, H.; Jiang, M.; Su, W.-P. Direct Phasing of Protein Crystals with Non-Crystallographic Symmetry. Crystals 2019, 9, 55.

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