Re: [phenixbb] DNA covalent bond angles deviate from PDB standard dictionary

Hi Scott,

angle pdb=" O4' DG D 6 "

pdb=" C1' DG D 6 " pdb=" N9 DG D 6 " ideal model delta sigma weight residual 108.40 110.18 -1.78 3.00e+00 1.11e-01 3.52e-01

The "ideal" value originates from $PHENIX/chem_data/mon_lib/g/GD.cif which has not changed for many years. I'm very surprised that the PDB is flagging these long-standing CCP4 monomer library values. I suggest you explain to the PDB that the angles in question are expected results. Ralf