MAD phasing: Bayesian estimates ofFA

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 magni- tudes of partial structure factors (FA) corresponding to the anomalously scattering atoms, uses weighted- average estimates of FA, and incorporates estimates of errors in the data that are not represented in the instrumental uncertainties. The method is demon- strated by application to MAD data collected on selenomethionine-containing gene V protein.