11 Oct
2007
11 Oct
'07
5:53 p.m.
Hi, this was discussed some time ago (a few years?) on ccp4: is there a way (even a fudge) to restrain a refinement at low resolution to an existing (much) higher resolution model? The scenario: you have a 1.9A structure, beautiful etc. You do a ligand soak, get 2.6A data, and only really want to see what's in the active site. This requires refinement (to improve phases), but most of the structure shouldn't change (often the case, especially if it's the the same crystal form). So you only want things to change that really are different. Thanks phx