On Tue, Jan 15, 2019 at 2:33 PM Nigel Moriarty <nwmoriarty@lbl.gov> wrote:

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@LBL.gov
Fax : 510-486-5909 Web : CCI.LBL.gov

On Tue, Jan 15, 2019 at 1:45 PM Edward A. Berry <BerryE@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Did I get an outdated version?
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