If you were to calculate the average B factor of the subset of atoms
in the protein that are exposed on the surface you would find that this
is higher as well. Most solvent atoms are on the surface of the molecule
and everything has higher mobility there.
I would be suspicious of a model wh
At the request of reviewers, I worked up the average B factor for some
structures using CCP4 programme BAVERAGE. Here's one example:
Protein33.1
Solvent53.9
Ligand32.9
I think the reviewer's question was directed at the quality of the model
for the ligand, but I notice that the ave
