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
