[phenixbb] (IUCr) Iron–sulfur clusters have no right angles

Nigel Moriarty nwmoriarty at lbl.gov
Tue Jan 15 14:33:04 PST 2019


Ed

The SVN repo is indeed up to date and you can get the files using

svn checkout https://svn.code.sf.net/p/geostd/code/trunk geostd

or similar. This will provide you with the latest SF4 restraints in
s/data_SF4.cif. I have attached a copy.

Clearly, the tar file download is not up to date so I will correct that in
the next few hours.

Cheers

Nigel

---
Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty at LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov


On Tue, Jan 15, 2019 at 1:45 PM Edward A. Berry <BerryE at upstate.edu> wrote:

> Iron–sulfur clusters have no right angles
> Nigel W. Moriarty and Paul D. Adams, Acta Cryst. (2019). D75, 16–20
> <http://journals.iucr.org/d/issues/2019/01/00/rr5165/index.html>
>
> This agrees well with what we see in structures of respiratory complex II!
> But when I downloaded geostd.tar from
> https://sourceforge.net/projects/geostd/
> and look in SF4.cif, I see:
>
>
> SF4   SF4 'Iron/sulfur cluster' Ion/Group/Compound     8   8 .
> 2009-09-01 2009-09-01
> ~~~~
> loop_
> _chem_comp_angle.comp_id
> _chem_comp_angle.atom_id_1
> _chem_comp_angle.atom_id_2
> _chem_comp_angle.atom_id_3
> _chem_comp_angle.value_angle
> _chem_comp_angle.value_angle_esd
>   SF4      FE3    S2     FE1      90.000    3.000
>   SF4      FE4    S2     FE1      90.000    3.000
>   SF4      FE2    S3     FE1      90.000    3.000
>   SF4      FE4    S3     FE1      90.000    3.000
>   SF4      FE2    S4     FE1      90.000    3.000
> ~~~~
>   SF4      S3     FE2    S1       90.000    3.000
>   SF4      S4     FE2    S1       90.000    3.000
>   SF4      S2     FE3    S1       90.000    3.000
>   SF4      S4     FE3    S1       90.000    3.000
>   SF4      S2     FE4    S1       90.000    3.000
>   SF4      S3     FE4    S1       90.000    3.000
>   SF4      S3     FE1    S2       90.000    3.000
>
> Did I get an outdated version?
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