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Related Experiment Videos

Globbic approximation in low-resolution direct-methods phasing.

D Y Guo1, R H Blessing, D A Langs

  • 1Hauptman-Woodward Institute, 73 High Street, Buffalo, New York 14203, USA. guo@hwi.buffalo.edu

Acta Crystallographica. Section D, Biological Crystallography
|August 25, 2000
PubMed
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Probabilistic phasing methods can now adapt to non-uniform protein crystal structures at low resolution. This approach simplifies phase determination by focusing on glob positions rather than individual atoms.

Area of Science:

  • Crystallography
  • Structural Biology
  • Computational Chemistry

Background:

  • Probabilistic direct-methods phasing theory traditionally assumes uniform atomic distribution.
  • Low-resolution crystallographic data presents challenges for accurate phase determination.
  • Protein crystals often exhibit non-uniform atomic distributions and significant solvent content.

Purpose of the Study:

  • To adapt probabilistic direct-methods phasing theory for non-uniform atomic distributions in protein crystals at low resolution.
  • To evaluate the effectiveness of a globbic approximation for phase determination using low-resolution data.
  • To investigate the relationship between resolution and the effective number of atoms per glob.

Main Methods:

  • Developed a non-uniform bulk-solvent-compensated globbic approximation.

Related Experiment Videos

  • Applied the theory to analyze low-resolution structure-factor data from a protein crystal.
  • Performed test calculations using measured structure-factor data and refined structural parameters.
  • Investigated the relationship n(g) = ad(min) + b for low-resolution data.

    • Main Results:

    • Demonstrated the adaptability of probabilistic phasing to non-uniform globbic approximations.
    • Found that the effective number of non-hydrogen protein atoms per glob, n(g), increases with decreasing resolution.
    • Established a linear relationship n(g) = ad(min) + b (a=1.0 A(-1), b=-1.9) for the test case.
    • Showed that low-resolution phases depend on glob positions rather than individual atom positions.

    Conclusions:

    • The globbic approximation is effective for probabilistic phasing of low-resolution protein crystal data.
    • Completeness of low-resolution data is crucial for successful probabilistic phasing.
    • This adapted theory offers a viable approach for phase determination in challenging crystallographic datasets.