Dear CCP4BB users,
For additional information on this matter, please see:
wwPDB Statement on Retraction of PDB Entries
http://www.wwpdb.org/documentation/UAB.php
and
Safeguarding the integrity of protein archive
/Nature/ (2010) *463*:425. doi:10.1038/463425c
<http://www.nature.com/nature/journal/v463/n7280/full/463425c.html>
Sincerely,
Rachel Green
------------------------------------------------------------------------
Rachel Kramer Green, Ph.D.
RCSB PDB
kra...@rcsb.rutgers.edu
*New!*Deposit X-ray data with the wwPDB at:
http://deposit.wwpdb.org/deposition (NMR and 3DEM coming soon).
___________________________________________________________
Twitter: https://twitter.com/#!/buildmodels
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On 2/6/2015 7:35 AM, Mark van Raaij wrote:
In our structures 1H6W (1.9Å) and 1OCY (1.5Å) we observed something
similar, I suspect the domain that makes the crystal contacts is
three-fold disordered, leading to layers of nothing. In our paper in
JMB 314, 1137 (doi 10.1006/jmbi.2000.5204) we tried to explain it a
bit, and describe what was done to try and "show up" the missing domain.
The 2HR0 structure was clearly made up, as were the data, apparently
the mathematical function used to calculate the sigmas could be
derived from the deposited data...It is indeed a pity that neither the
structure nor the paper have been rejected. Perhaps the PDB is waiting
for Nature, and Nature for the PDB...a joint letter to both might be
in order to get this sorted out.
On 6 Feb 2015, at 11:58, Kerff Fred wrote:
Hello,
Looking at structure 2HR0 ("The structure of complement C3b provides
insights into complement activation and regulation. »,Abdul Ajees,
A., Gunasekaran, K., Volanakis, J.E., Narayana, S.V., Kotwal,
G.J., Krishna Murthy, H.M.; (2006) Nature 444: 221-225), I noticed
the absence of contacts between layers in the crystal. Is it
something that has already been observed in other crystals?
Best regards,
Fred
-----
Frédéric Kerff
Chercheur qualifié F.R.S.-FNRS
Cristallographie des protéines
Centre d'Ingénierie des Protéines
Université de Liège
17, Allée du 6 Août - Bat B5a
4000 Liège (Belgium)
Tel.: +32 (0)4 3663620
Fax: +32 (0)4 3663772
Le 6 févr. 2015 à 10:12, Tim Gruene <t...@shelx.uni-ac.gwdg.de
<mailto:t...@shelx.uni-ac.gwdg.de>> a écrit :
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Dear Smith,
The sca file most likely does not contain flags. pointless can read
the sca file, standardise it to ccp4 standards and freerflag marks
random reflections. You should use the maximum of 500 unique
reflections or 5% of the unique reflections, whichever is larger.
Best,
Tim
On 02/06/2015 09:49 AM, Smith Lee wrote:
Dear All, I have a sca file. Will you please tell me by which
software or how I can know whether the sca file contains R-free
tags? If not, by which software or how I can add the R-free tags?
And how much of the reflections I add the R-free tags? I am looking
forward to getting your reply. Smith
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
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Mark J van Raaij
Lab 20B
Dpto de Estructura de Macromoleculas
Centro Nacional de Biotecnologia - CSIC
c/Darwin 3
E-28049 Madrid, Spain
tel. (+34) 91 585 4616
http://www.cnb.csic.es/~mjvanraaij <http://www.cnb.csic.es/%7Emjvanraaij>
