[phenixbb] TLS makes my r-factors shoot through the roof

Morten Groftehauge mortengroftehauge.work at gmail.com
Tue May 29 03:56:22 PDT 2012

Hi Phenixbb,

3.2A data, 110 Wilson B, I41, twinned. Imperfect inverted repeat dsDNA with
4 protein monomers, NCS not used in refinement.
If I don't include TLS I get a nice stable R-factor while RMS goes down.
If I include TLS (whether as one group per chain or as chosen by Phenix)
this happens:

[image: Inline images 1]

Density disappears around some of the DNA bases as an obvious difference.
If I run Refmac with TLS it just never finishes.

While I could just refine without TLS this does make me worried that there
is something wrong with my model or my data (besides being terrible).


Morten K Grøftehauge, PhD
Pohl Group
Durham University
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