[phenixbb] refinement with a covalent inhibitor.
chern at ualberta.ca
Thu Mar 19 10:28:13 PDT 2009
Thank you for your help. The sugar chain is the same, but the crystal
form is different and the sugar chain is not infinite, because a part of
the chain is disordered. (To make the complex, I used a high molecular
weight sugar, 17 or 30 KDa). Did you get the E64 carboxyl group flat?
I have no trouble with covalent linking, just the geometry of the
ligands. Do you need my pdb?
Nigel W Moriarty wrote:
> I took a look at the PDB entry 3C9E. The covalently bound ligand can be
> taken care of using the CIF link files. The chain of sugars is a
> different matter. There is a LINK to a symmetry copy such that the
> chain continues into the next ASU forming an infinite chain. I've
> started working on code to generate the needed files for refinement. If
> you need the files today, I can generated them with my test code and you
> can use them with the current version of PHENIX.
> Is the sugar chain the same as in 3C9E?
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