[phenixbb] very weak reflections

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Fri Dec 11 09:45:00 PST 2009

Hi Maia,

> Thanks for the suggestion. My original question was that the phenix refines 
> the isoalloxazine ring as a flat plane whereas refmac refines it bent. (Same 
> cif file)
> And the density fits the shape produced by each program. I guess, I should 
> tighten restraints in refmac and see if it can make the plane and look at 
> the difference map.

Do you have planarity restraints or just dihedrals ("tor" in the cif file)?
If I understand correctly, in refmac only the dihedrals with
periodicity zero are actually restraint. You could verify this by
running the same refmac refinement with all non-zero periodicity dihedrals
commented out in the cif file.


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