[phenixbb] cis peptide question

Edward A. Berry BerryE at upstate.edu
Tue Jul 16 07:27:44 PDT 2013

Pavel Afonine wrote:
> Oh, makes it hard to resist to re-post this old link to slides #17-18 here:
> http://www.phenix-online.org/presentations/latest/pavel_validation.pdf
> The reason you could get away with this ok is because weights
> data/restraints used in phenix.refine are global.
> Pavel

OK, makes sense. And the sigma was high and weight low for that angle, allowing the clear xray data to overrule the 
restraint and give the right structure?

dihedral pdb=" C10 FAD A1001 "
          pdb=" N10 FAD A1001 "
          pdb=" C1' FAD A1001 "
          pdb=" C2' FAD A1001 "
     ideal   model   delta sinusoidal    sigma   weight residual
     90.09  -79.50  169.58     1      2.00e+01 2.50e-03 4.76e+01

(The FAD.cif is from ccp4)

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