The estimate of the protein phases for the SAD case: a simplified formula

Acta Crystallogr A. 2003 May;59(Pt 3):262-5. doi: 10.1107/s0108767303005506. Epub 2003 Apr 25.

Abstract

The probabilistic formula derived via the rigorous method of the joint probability distribution function to estimate protein phases in the single-wavelength anomalous diffraction (SAD) case [Giacovazzo & Siliqi (2001). Acta Cryst. A57, 40-46] has been revised. A simple but equally effective formula is provided, allowing an easy interpretation of the role of the structural parameters accessible via a diffraction experiment. In particular, the formula is able to simultaneously combine the contribution arising from the anomalous differences with a Sim-like contribution, and also to take the errors into account.

MeSH terms

  • Models, Molecular
  • Models, Statistical*
  • Protein Conformation
  • Proteins / chemistry*
  • Sensitivity and Specificity
  • X-Ray Diffraction / methods*

Substances

  • Proteins