Dear all,
a solved 2.6 Ang. structure shows the following estimated coordinate errors
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.
REMARK   3   ESU BASED ON R VALUE                            (A):   0.468
REMARK   3   ESU BASED ON FREE R VALUE                       (A):   0.279
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A):   0.217

Similar values are calculated by REFMAC independent of its version. The reverse order
(at least for Rvalue and Rfree) makes more sense to me. Using the formula for the ESDs given in the REFMAC documentation also a reverse order seems to be correct (Parameters are given in the full pdb-header attached).
Unclear to me is whether the restraints are included in the item Nparam or not. I choose Nparam=4 x Natom. Or what could be the reason for discrepancy?
Any comments are welcome
Jürgen