16 Jul
2013
16 Jul
'13
2:27 p.m.
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)