[phenixbb] Anisotropic B-factors with Trucated Data

Keller, Jacob kellerj at janelia.hhmi.org
Fri Jul 31 13:42:13 PDT 2015

Actually, I think I found how to override the iso/aniso decision: under "global parameters," set aniso cutoff to lower resolution. Seems to be working.

Any thoughts on the more general question about aniso refinement in the case of truncated data, or +/- twinning? Seems twinning changes ML refinement to LSQ, but I am not sure how that changes this.


-----Original Message-----
From: phenixbb-bounces at phenix-online.org [mailto:phenixbb-bounces at phenix-online.org] On Behalf Of Keller, Jacob
Sent: Friday, July 31, 2015 3:53 PM
To: phenixbb at phenix-online.org
Subject: [phenixbb] Anisotropic B-factors with Trucated Data

Dear Crystallographers,

I have a dataset which was artificially truncated at 1.7 Ang by the limitations of our setup, but the resolution is probably 1.5 Ang or so. I would like to try running anisotropic B refinement in Phenix, but am not sure how to tweak to get this to happen. I know about the parameter:measurement ratio concept, but I think it may still be better than isotropic. NB the dataset is also 42% twinned.

All the best,

Jacob Keller

Jacob Pearson Keller, PhD
Looger Lab/HHMI Janelia Research Campus
19700 Helix Dr, Ashburn, VA 20147
email: kellerj at janelia.hhmi.org

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