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Rosetta Structure Prediction as a Tool for Solving Difficult Molecular Replacement Problems

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Protein Crystallography

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1607))

Abstract

Molecular replacement (MR), a method for solving the crystallographic phase problem using phases derived from a model of the target structure, has proven extremely valuable, accounting for the vast majority of structures solved by X-ray crystallography. However, when the resolution of data is low, or the starting model is very dissimilar to the target protein, solving structures via molecular replacement may be very challenging. In recent years, protein structure prediction methodology has emerged as a powerful tool in model building and model refinement for difficult molecular replacement problems. This chapter describes some of the tools available in Rosetta for model building and model refinement specifically geared toward difficult molecular replacement cases.

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Author information

Authors and Affiliations

  1. Department of Biochemistry, Institute of Protein Design, University of Washington, Seattle, WA, USA

    Frank DiMaio

Authors
  1. Frank DiMaio
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Editor information

Editors and Affiliations

  1. Macromolecular Crystallography Laboratory, National Cancer Institute, Frederick, Maryland, USA

    Alexander Wlodawer

  2. Synchrotron Radiation Research Section, MCL, National Cancer Institute, Argonne National Laboratory, Argonne, Illinois, USA

    Zbigniew Dauter

  3. Department of Crystallography, Faculty of Chemistry, A. Mickiewicz University, Poznan, Poland

    Mariusz Jaskolski

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DiMaio, F. (2017). Rosetta Structure Prediction as a Tool for Solving Difficult Molecular Replacement Problems. In: Wlodawer, A., Dauter, Z., Jaskolski, M. (eds) Protein Crystallography. Methods in Molecular Biology, vol 1607. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-7000-1_19

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  • DOI: https://doi.org/10.1007/978-1-4939-7000-1_19

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  • Publisher Name: Humana Press, New York, NY

  • Print ISBN: 978-1-4939-6998-2

  • Online ISBN: 978-1-4939-7000-1

  • eBook Packages: Springer Protocols

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