If we define high resolution as 1.2A and higher, there are ~1500
high-resolution entries (ignoring entries without experimental data). Of these
~1000 were refined with anisotropic B-factors by our method. We use the
Hamilton R-ratio test to support our B-factor model choice. The ~1000 is an
underestimate because the B-factor model used wasn't stored properly for the
older entries. If more accurate numbers are needed, they can be mined from the
PDB_REDO databank.
HTH,
Robbie Joosten
Netherlands Cancer Institute
www.cmbi.ru.nl/pdb_redo
Date: Thu, 11 Oct 2012 12:17:39 -0700
From: merr...@u.washington.edu
Subject: Re: [ccp4bb] anisotropic refinement
To: CCP4BB@JISCMAIL.AC.UK
On Thursday, October 11, 2012 11:50:37 am Rex Palmer wrote:
Dear CCP4'ers
With the occurrence of more and more high resolution protein structures
does anyone know at present how many such structures have been successfully
refined anisotropicall?�
When we tried to categorize refinement protocols in the PDB at the end
of 2009 we identified about 1200 protein structures that had been given
full anisotropic treatment. Zucker et al, Acta Cryst. (2010). D66, 889–900
However, using automated search of the PDB it is hard to distinguish
full aniso refinement from structures refined with TLS but having missing
or malformed TLS records.
As to successfully, that's a separate question :-)
May Robbie Joosten has more recent numbers from the PDB-Redo project,
and a comment on success?
Ethan
--
Ethan A Merritt
Biomolecular Structure Center, K-428 Health Sciences Bldg
University of Washington, Seattle 98195-7742
