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Refining the macromolecular model - achieving the best agreement with the data from X-ray diffraction experiment.

Ivan G Shabalin1,2, Przemyslaw J Porebski1,2, Wladek Minor1,2

  • 1Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville, VA 22908, United States.

Crystallography Reviews
|November 13, 2018
PubMed
Summary

This tutorial guides novice crystallographers through macromolecular structure refinement, explaining key concepts like R-free and restraints. It offers practical tips for optimizing model refinement and manual corrections using software.

Keywords:
X-ray crystallographyligandsprotein crystal structurerefinementreproducibilitystructural biology

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