The native structure for a protein is available and there is a
ligand bound data. The crystallisation condition has anomalous
scattering metal ions (Cd). Both the data are scaled by separating
anomalous pairs. So while refining a ligand bound data with a
solution obtained using Molecular replacement, is it recommended
to refine using "SAD data directly" in refmac so that the anomalous
atoms can be occupancy refined?
This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.