Dear users,
Is it advisable to refine the occupancy of
a ligand for a 2.0Ang data by approximately
changing the values of occupancy based on
its b-factor?
After refinement, there were some negative
densities appearing in some parts of the
ligand, like at the centre of a pyrimidine
ring, so I expected that the problem is with
the occupancy. (the crystal was obtained by
co-crystallisation method).
Kindly provide some suggestions.
Thanking you
With Regards
Kavya
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