One question is, why do you want to fix that and from what literature are you expecting the values?
BeF3- is often a ground state analogue for GTP binding proteins for example.. and the depending on the coordination state, the bond angle and length might change a bit I would have thought.. for example, if you have an oxygen from a ligand and a water close enough to the Be, then the bond order of the B-F is lower.. if you have good resolution, this might be interesting in the other way around.. Cheers, Partha On Thu, Jun 26, 2008 at 3:26 PM, <[EMAIL PROTECTED]> wrote: > Hi everyone, > I am refining a protein structure containing a Beryllium Fluoride (BeF3) > ligand. I am using Refmac5 in ccp4i. > The distances between the Be and the F atoms are slightly longer than what > I would expect (1.7A instead of ~1.5A). > Does anyone know how I can fix the distances and restrain the bond lengths > for the BeF. > Thanks, > Yael. -- MRC National Institute for Medical Research Division of Molecular Structure The Ridgeway, NW7 1AA, UK Email: [EMAIL PROTECTED] Phone: + 44 208 816 2515
