[phenixbb] Short contact with symmetry mate

Ashok Nayak ashokgocrackin at gmail.com
Sun Jul 19 06:48:21 PDT 2015


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
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