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Crystallographic Methods and Protocols pp 227–244Cite as

Refinement of Protein and Nucleic Acid Structures

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Part of the book series: Methods in Molecular Biology™ ((MIMB,volume 56))

Abstract

Refinement constitutes the last of the three main steps in the crystallographic establishment of a molecular structure, which are fast, crystal growth and data collection; second, phase determination and calculation of electron density maps; and third, model building and refinement. This final part is necessary because the structural models arrived at after the first two steps are approximate and usually contain errors in the tracing of the macromolecular chain. During the crystallographic refinement process, the macromolecular model is changed so that the agreement between the measured diffraction intensities and those calculated improves. This improved agreement between observed and calculated structure factors leads to better phases and, concomitantly, to improved electron density maps. The refinement process is monitored by the conventional crystallographic R factor, defined by the equation:

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Author information

Authors and Affiliations

  1. Institut de Biologie Moléculaire et Cellulaire, Centre National de la Recherche Scientifique, Strasbourg, France

    Eric Westhof & Philippe Dumas

Authors
  1. Eric Westhof
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  2. Philippe Dumas
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Editor information

Editors and Affiliations

  1. National Institute for Biological Standards and Control, Potters Bar, UK

    Christopher Jones  & Barbara Mulloy  & 

  2. Department of Biophysics, King’s College, London, UK

    Mark R. Sanderson

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© 1996 Humana Press Inc.

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Westhof, E., Dumas, P. (1996). Refinement of Protein and Nucleic Acid Structures. In: Jones, C., Mulloy, B., Sanderson, M.R. (eds) Crystallographic Methods and Protocols. Methods in Molecular Biology™, vol 56. Humana Press. https://doi.org/10.1385/0-89603-259-0:227

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  • DOI: https://doi.org/10.1385/0-89603-259-0:227

  • Publisher Name: Humana Press

  • Print ISBN: 978-0-89603-259-0

  • Online ISBN: 978-1-59259-543-3

  • eBook Packages: Springer Protocols

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