Acta Crystallographica Section D

Biological Crystallography

Volume 50, Part 1 (January 1994)

research papers

 

MAD phasing: Bayesian estimates of F_A

T. C. Terwilliger

Abstract: A Bayesian approach is applied to the calculation of Patterson functions and cross-Fourier maps in the analysis of multi-wavelength anomalous-diffraction (MAD) data. This procedure explicitly incorporates information available a priori on the likely magnitudes of partial structure factors (F_A) corresponding to the anomalously scattering atoms, uses weighted-average estimates of F_A, and incorporates estimates of errors in the data that are not represented in the instrumental uncertainties. The method is demonstrated by application to MAD data collected on selenomethionine-containing gene V protein.

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