Hi all

I've got 3.0A data and I'm ending up with distorted ligand geometry in phenix.refine. The model is complete and fitting the ligand is the final step (refined with individual_sites and individual_sites_real_space as suggested by an earlier posting). I've tried with a wxc_scale of 0.001 and it still looks wonky (tetrahedral C's not being so, etc).

My cif is coming from phenix's internal db.

Any suggestions?

F



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Francis E. Reyes M.Sc.
215 UCB
University of Colorado at Boulder





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