Hi Nigel, 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? Maia Nigel W Moriarty wrote:
Maia
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?
Nigel