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
