Hi,
one could indeed get much better phases with the correct positions of
the HA cluster. If there is sufficient anomalous signal one could use
the cluster as search model for Molecular replacement using the
anomalous data as described in Dahms et al. to get the exact position
of the cluster in the crystal.
"Localization and orientation of heavy-atom cluster compounds in protein
crystals using molecular replacement."
Acta Crystallogr D Biol Crystallogr. 2013 Feb;69(Pt 2):284-9
Cheers
Christian
Am 21.11.2013 19:36, schrieb Jason Busby:
If you set the atom type to "TX", phaser will use the built-in
scattering factors for the tantalum bromide cluster. This will be
represented as a point scatterer rather than the actual cluster - if you
have very good data you may be able to actually position the tantalum
atoms in the cluster and get better phase information that way.
Jason.
--
Jason Busby
PhD Student
Laboratory of Structural Biology
School of Biological Sciences
University of Auckland
Thomas Building 110
3a Symonds St
Private Bag 92019
Auckland 1142
New Zealand
ph: +64 9 3737599 ext 84155
fx: +64 9 3737414
On 21/11/2013, at 9:32 PM, LISA wrote:
Dear Dr. Matthias Zebisch,
how to do the specific cluster search in phaser sad pipline? Thank you.
Lisa
On Thu, Nov 21, 2013 at 3:37 PM, Matthias Zebisch
<matthias.zebi...@bbz.uni-leipzig.de
<mailto:matthias.zebi...@bbz.uni-leipzig.de>> wrote:
Dear Lisa,
if you have proper anomalous data I rather recommend using the
Phaser SAD pipeline and specify cluster search.
Worked instantly for me.
Good luck!
------------------------------__-----------
Dr. Matthias Zebisch
Division of Structural Biology,
Wellcome Trust Centre for Human Genetics,
University of Oxford,
Roosevelt Drive,
Oxford OX3 7BN, UK
Phone (+44) 1865 287549;
Fax (+44) 1865 287547
Email matth...@strubi.ox.ac.uk <mailto:matth...@strubi.ox.ac.uk>
Website http://www.strubi.ox.ac.uk <http://www.strubi.ox.ac.uk/>
------------------------------__-----------
On 11/21/2013 6:29 AM, LISA wrote:
Dear All,
I am running autosharp with a single wavelength data soked
with Ta6Br12. This data collected at the wavelength of 1.254A.
I told the autosharp the f' -20 and f''10.5. The autosharp
result said these values are not correct? How can we get the
f' and f'' of this cluster? Thank you.
Lisa
