Hi all, during deposition of structures the water numbering is frequently changed. I would love to keep specific numbers for critical water molecules e.g. in an active site in related proteins (mutants, ligand soaks), to facilitate easier discussion in a manuscript.
Is there a general agreement how to treat these? One way to deal with this is would be to use an arbitrary offset: A1-A233 protein A301 ligand A302 another ligand A401-404 4 special waters A500- general solvent Any input welcome ;-) All the best, Eckhard -- Prof. Dr. Eckhard Hofmann <[email protected]> Ruhr-Uni Bochum AG Proteinkristallographie, LS Biophysik, ND04/318 44780 Bochum Tel: +49-(0)234/32-24463, Sekr. -24461, FAX: -14762
