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Improving the efficiency of molecular replacement by utilizing a new iterative transform phasing algorithm.

ABSTRACT: An iterative transform method proposed previously for direct phasing of high-solvent-content protein crystals is employed for enhancing the molecular-replacement (MR) algorithm in protein crystallography. Target structures that are resistant to conventional MR due to insufficient similarity between the template and target structures might be tractable with this modified phasing method. Trial calculations involving three different structures are described to test and illustrate the methodology. The relationship of the approach to PHENIX Phaser-MR and MR-Rosetta is discussed.

SUBMITTER: He H

PROVIDER: S-EPMC5006650 | biostudies-literature | 2016 Sep

REPOSITORIES: biostudies-literature

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Improving the efficiency of molecular replacement by utilizing a new iterative transform phasing algorithm.

He Hongxing H Fang Hengrui H Miller Mitchell D MD Phillips George N GN Su Wu Pei WP

Acta crystallographica. Section A, Foundations and advances 20160715 Pt 5

An iterative transform method proposed previously for direct phasing of high-solvent-content protein crystals is employed for enhancing the molecular-replacement (MR) algorithm in protein crystallography. Target structures that are resistant to conventional MR due to insufficient similarity between the template and target structures might be tractable with this modified phasing method. Trial calculations involving three different structures are described to test and illustrate the methodology. T ...[more]

PMID: 27580202

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