MAD phasing: Bayesian estimates of F A

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.