[phenixbb] (EXTERNAL) Re: (IUCr) Iron–sulfur clusters have no right angles
Edward A. Berry
BerryE at upstate.edu
Tue Jan 15 18:57:09 PST 2019
Thanks! I'll try the SVN, if that doesn't work I'll get the tarball again.
Much appreciation for the great job you all are doing!
Ed
On 01/15/2019 07:41 PM, Nigel Moriarty wrote:
> BTW, the sourceforge website is updated with a tar ball download that contains the new restraints.
>
> 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 <http://CCI.LBL.gov>
>
>
> On Tue, Jan 15, 2019 at 2:33 PM Nigel Moriarty <nwmoriarty at lbl.gov <mailto:nwmoriarty at 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 at LBL.gov
> Fax : 510-486-5909 Web : CCI.LBL.gov <http://CCI.LBL.gov>
>
>
> On Tue, Jan 15, 2019 at 1:45 PM Edward A. Berry <BerryE at upstate.edu <mailto: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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