[phenixbb] Geometry problem with the ligand

Jhon Thomas jhon1.thomas at gmail.com
Sun Mar 29 10:25:22 PDT 2009

Hello all

I am working with a 3.0 A dataset, which binds with cAMP. I have refined the
dataset with phenix (TLS+Group_adp) and followed by weight optimization.
Though cAMP fit well in the density, validation tools (molprobity, procheck)
suggest the bond angles and bond lengths of ligand of completely refined
model is very bad(100% bad). Can anyone suggest what could be the problem
with model or refinement?  I will appreciate the suggestions.

Thanks in advance

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