The easy Q first:
Wilson plot B values are very unreliable for 4A data - b=20 is almost
certainly wrong, but until you have a model to refine it is hard to get
a proper estimate.
Q2: With a decent model the ligand should show up as a blob, even at
this resolution. You might have trouble
Dear All,
Thank you for your help! There do have something needed to be checked
carefully, as you suggested. Peter Zwart
showed me the right way of explore_symmetry_metric, which indicated there is
some relationship between the two
unit cells. I hope it can explain the strange wilsonB and
since the ligands bare being soaked into a known solved structure, why
is MR necessary? Why not just start out with some rigid body refinement
of the native structure to account for possible slight differences in
the cell dimensions?
--
You haven't given much detail to work with so I can only
guess about your problem. A Wilson B of 20 for a 4 A data set
is ridiculous, but the uncertainty in the Wilson B calculation
at 4 A is enormous, so what might be a more reasonable statement
would be to say your Wilson B calculates to 20
