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Related Experiment Videos

Molecular replacement--historical background.

M G Rossmann1

  • 1Department of Biological Sciences, Purdue University, West Lafayette, IN 47907-1392, USA. mgr@indiana.bio.purdue.edu

Acta Crystallographica. Section D, Biological Crystallography
|September 22, 2001
PubMed
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This review details mathematical methods for molecular replacement structure determination. It covers using homologous structures as search models and handling non-crystallographic symmetry (NCS) within or between unit cells.

Area of Science:

  • Crystallography
  • Structural Biology
  • Biophysics

Background:

  • Molecular replacement is a key technique for determining protein structures.
  • Accurate phase determination is crucial for solving crystal structures.
  • Non-crystallographic symmetry (NCS) presents unique challenges in structure determination.

Purpose of the Study:

  • To review the mathematical procedures for molecular replacement structure determination.
  • To explain the application of these methods in various crystallographic scenarios.
  • To clarify the distinction between proper and improper non-crystallographic symmetry.

Main Methods:

  • Review of established mathematical algorithms for molecular replacement.
  • Analysis of search model strategies using homologous structures.

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  • Examination of phase determination techniques in the presence of NCS.

    • Main Results:

    • The mathematical framework for molecular replacement is broadly applicable.
    • Homologous structures serve as effective search models.
    • Distinction between proper NCS (within a unit cell) and improper NCS (between unit cells) is clarified.

    Conclusions:

    • Standardized mathematical procedures facilitate molecular replacement.
    • Understanding NCS is vital for successful structure solution.
    • This review provides a comprehensive guide to molecular replacement methodologies.