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Related Experiment Videos

Sheldrick's 1.2 A rule and beyond.

Richard J Morris1, Gérard Bricogne

  • 1Global Phasing Ltd, Sheraton House, Castle Park, Cambridge CB3 0AX, England.

Acta Crystallographica. Section D, Biological Crystallography
|February 22, 2003
PubMed
Summary
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This study presents an average profile of squared normalized structure factors from high-resolution protein models. This provides a structural basis for the 1.2 Å rule in direct methods and discusses potential improvements using stereochemical knowledge.

Area of Science:

  • Crystallography
  • Structural Biology
  • Biophysics

Background:

  • Direct methods are crucial for solving crystal structures.
  • Sheldrick's 1.2 Å rule provides a guideline for the applicability of direct methods.
  • High-resolution protein models offer insights into crystallographic data.

Purpose of the Study:

  • To present an average profile of squared normalized structure factors (/E/2>(d*)) from high-resolution protein models.
  • To provide a structural interpretation for Sheldrick's 1.2 Å rule.
  • To discuss the potential of extended direct methods incorporating stereochemical knowledge.

Main Methods:

  • Calculation of average profile of squared normalized structure factors from a large ensemble of high-resolution protein models.

Related Experiment Videos

  • Analysis of the relationship between resolution and structure factor statistics.
  • Theoretical interpretation of crystallographic data.

    • Main Results:

    • An average profile of /E/2>(d*) was generated from extensive high-resolution protein model data.
    • A structural explanation for the empirical 1.2 Å resolution limit in direct methods was elucidated.
    • The study provides a foundation for understanding the limitations and potential enhancements of direct methods.

    Conclusions:

    • The presented profile offers a structural basis for Sheldrick's 1.2 Å rule.
    • Stereochemical knowledge integration may enhance the effectiveness of direct methods.
    • Further research into extended direct methods is warranted for improved structure determination.