Dear users,
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?
Thanking you
Regards
Kavya
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