Hi all, I am putting the finishing touches on a structure and as a good little crystallographer I am running it through Molprobity and PDB validation to make sure everything clears before deposition. Everything was looking alright until I threw the file into the PDB validation server and suddenly there are a significant number of solvents that violate the 3.5 angstrom rule. Concerned that something had gone wrong I put an older file that I had run through the server in April. I was shocked to discover that the file with only one "questionable solvent" in April now has 173 of them.
I know that the PDB updated its validation server in May as described in their news link but it seemed to indicate an increase in output options rather than a change in criteria. Is anyone aware of what changes were made to the validation server in regards to the preferred geometrical and stereochemical features? Thanks for your time, Katherine
