Dear users,
I am using refmac 5.7.0029 for refining a structure (resolution 2.2 Ang)
bound to 2 ligands. After MR There is a very clear density of ligands but
after refinement, I get negative fofc map near one of the ligand upto 5
sigma. However its 2fofc map covers the whole ligand. Also for the other
ligand, I do not see any 2fofc density (at 3 sigma) for 2 atoms, without
these atoms the ligand is unrealistic. But the density comes up around
these at around 0.7 sigma.
Overall completeness is 99.9%
Rmerge 7.5%
What else I need to check in the data. Kindly provide some suggestions.
Thanking you
Regards
Kavya
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