Dear Phenix BB,
I am refining a helical bundle structure where I have been
obtaining an invariant short contact (close to 2A) at a Glu
residue with Lys of symmetry related molecule of one helix of
the bundle. I had been using Rigid body, TLS, occupancy and
Indv ADP for the refinement (which gave the best Rfree
values). If I include coordinate refinement the short contact
seems to be gone rather with higher Rfree values. I ll
appreciate some suggestions regarding this.
Thank you in advance.
Ashok Nayak
CSIR-CDRI
Lucknow, India