Hi Sun,
On Mon, Feb 04, 2008 at 02:15:05PM -0800, Sun Tang wrote:
I used NCS before rigid body refinement. After that I did not put
NCS restraints in the restrained refinement and TLS+restrained
refinement because it raised the R/Rfree quite a lot.
Use NCS. Really!
There is never a reason
Dear Michele,
I think your MR solution is on a different allowed
origin - that's all
Ciao
Pietro
--
Pietro Roversi
Sir William Dunn School of Pathology, Oxford University
South Parks Road, Oxford OX1 3ER, England UK
Tel. 0044-1865-275385
I agree that the difference in Rwork to Rfree is quite acceptable at
your resolution. You cannot/ should not use Rfactors as a criteria for
structure correctness.
As Ian points out - choosing a different Rfree set of reflections can
change Rfree a good deal.
certain NCS operators can relate
I think you have just found a symmetry equivalent of your original
structure solution.
In P6122 there are 12 possible symmetry operators to choose from - only
one of which will be the identity (equivalent to alpha=beta=gamma=0)
One certainly will have alpha or gamma = 180, and beta 0,
Dear Crystallographers,
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Diamond Light Source, Oxfordshire.
The MPL is a facility for purification, crystallisation and structural studies
of membrane proteins.
It is located at the Diamond Light Source and is a
Dear Colleagues,
We are organizing a workshop on the 1st to the 3rd of April, 2008
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Hi Sun
Your bond length angle RMSD's look suspiciously high for a 2.8 Ang
structure; this usually means that some weighting parameter(s) is/are
not optimal. 2.8 Ang is not that far from the point where the optimal
choice of structure parameters may be torsion angles instead of
Cartesian
Dear All,
In the latest Nature (which for once arrived in a few days to our
office...) there are interesting structures of the influenza M2
proton channel.
One is by NMR, which resulted in a model of a closed state with four
inhibitor molecules bound to the outside. Another is by X-ray
Available immediately for free from JJ in Springhouse, PA:
Bruker AXS ProteumR system-
Smart 6000 CCD area detector
6 kW rotating-anode generator
Packed on shipping pallets, measures 83”x52”x72”
For additional details please contact:
Sean Moroney (JJ)
email: [EMAIL PROTECTED]
Please contact
Dear ccp4 Community,
I am sorry for the off topic question.
As you all aware there are many docking programs available from
commercial vendors/. And
everyone claims that their product is the best in the business. Here i would
like to ask for some experiences from this wonderful
Dear all
In the CCP4 documentation about alternative origins for spacegroups
(http://www.ccp4.ac.uk/dist/html/alternate_origins.html) one can find
the following table:
_
P 1 m 1 SG No: 6 (Standard short HM symbol: Pm)
Number of alternate
PJ. Ok after doing the stuff for refmac and running a few test runs of
it, it worked ok. After using it on my current model, all of my bfactors
shot up, my RMS for bond lengths went from .015 to 0.34 and my RMS for
angles were also doubled. (this was done by re-running a job in refmac
prior to
On Tuesday 05 February 2008 16:51, John Badger wrote:
One suggestion on the XtalView/xfit problem is that it might be a result of
trying to run on a 64-bit computer.
No, that's not it.
XtalView/Xfit runs just fine on 64-bit.
The problem is that both Fedora and Suse 10.3 currently ship with
This is my response to Marius from earlier today. I should have sent it to the
list as well.
This was done in Fedora 8, but it I'm guessing similar commands in the other
distros that now use libxcb will also work.
BTW, I tried upgrading to libxcb-1.1 and using the sloppy_lock variable that
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