I actually chose 3dko because it is a kinase (with a ligand), and
therefore an interesting candidate for a molecular replacement
"score". I have not set this up yet, but I think if you look for PDB
entries that contain the word "kinase" and try to molecular-replace
all of them into the 3dko datase
Dear Colleagues,
We are pleased to announce the sixth annual CCP4 summer school at Advanced
Photon Source (APS), Argonne National Laboratory (ANL). All details can be
found at http://www.ccp4.ac.uk/schools/APS-2013/index.php
Title:
"CCP4 school: From data collection to structure refin
On Mon, Jan 14, 2013 at 11:18 AM, Tim Gruene wrote:
> I admit not having read all contributions to this thread. I understand
> the "John Henry Challenge" as whether there is an 'automated way of
> producing a model from impossible.mtz'. From looking at it and without
> having gone all the way to a
Over the last 12 hours I've received a large number of responses, and I'd like
to thank you all for the detailed and helpful responses.
Clearly, I've been doing this incorrectly, however, I do have a number of
experiments already done that hopefully I can salvage something out of. Now, at
high
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Hello James and all other contributors,
I admit not having read all contributions to this thread. I understand
the "John Henry Challenge" as whether there is an 'automated way of
producing a model from impossible.mtz'. From looking at it and without
h
Article in the Tables is the answer to my question about the latest
Engh&Huber parameters. These still don't match Fig.6 from Fisher, but I
am OK with using Tables for my internal purposes.
Thanks to Mitchell and Dale for prompt response.
Cheers,
Ed.
--
After much deep and profound brain thin
There was an update by E&H in 2001 in the International Tables Vol F.
There are a small number of modifications to the 1991 values in the
update as well as the addition of several conformational variabilities.
If I understand correctly, Refmac and Phenix use the 2001 values,
with the only conformat
Hi Ed,
Chapter 18.3 of international tables vol F includes values designated
EH99 which are from a more recent CSD release than the original 1991
Engh & Huber paper.
R. A. Engh and R. Huber. Structure quality and target parameters.
International Tables for Crystallography (2012). Vol. F, ch.
To what extent "modern" geometric restraints have been upgraded over
original Engh&Huber? And where I can find a consensus set of values
(with variances)?
For example, Fisher et al., Acta D68:800 discusses how histidine angles
change with protonation, and refers to Engh&Huber when it says that
Dear all,
We are seeking two post-doc scientists in the Metabolic & Rare Diseases
group at the Structural Genomics Consortium (SGC), University of Oxford:
1. *Protein crystallographer*, driving multiple gene-to-structure projects
to understand inborn errors of metabolism:
https://www.recruit.ox.
"What is the best procedure to use for weak anomalous signal"
That opens up the can of worms which I'm happy to jump into.
We've had very good success in the years 2003-2009 with shelx for finding sites
(sometimes more than 1 trials) then force feeding them to sharp for phase
improvement. We
Post-doctoral positions are available in the Netherlands Cancer Institute in
the groups of Anastassis (Tassos) Perrakis and Titia Sixma (http://xtal.nki.nl).
The Netherlands Cancer Institute (http://www.nki.nl) is a center of excellence
with a high standard of biological research and an interac
Dear CCP4 maintainers,
I've come to appreciate the CCP4 update functionality, which, in our
multiuser network (RHEL 6.2), I used to invoke by calling $CCP4/bin/update.
Update 012 removed that script with no immediately obvious replacement.
Was that on purpose? Is there a way of updating CCP
I am absolutely delighted at the response I have gotten to my little
"John Henry Challenge"! Three people already have managed to do the
"impossible". Congratulations to George Sheldrick, Pavol Skubak and Raj
Pannu for finding ways to improve the phases over the ones I originally
obtained (us
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