[ccp4bb] Computational Crystallography Newsletter Issue 2

2011-01-20 Thread Paul Adams
Dear Colleagues, I am pleased to announce the publication of the second issue of the Computational Crystallography Newsletter: http://www.phenix-online.org/newsletter/ A listing of the articles and short communications is given below. Please note that the newsletter accepts articles of

Re: [ccp4bb] A small bug in the CCP4 dictionary?

2011-01-20 Thread Garib N Murshudov
It indeed seems to be case. Thank you for pointing this out. I have change in the version I have and it will be available soon. reagrds Garib On 20 Jan 2011, at 14:26, Thomas Womack wrote: > The restraint dictionary for hydrogenated tryptophan, > lib/data/monomers/t/TRP.cif, lists a 15-atom p

[ccp4bb] PostDoc Position: Druggability of Multi-Subunit Protein Interfaces

2011-01-20 Thread Alessio Ciulli
Post-Doctoral Research Associate: Druggability of Multi-Subunit Protein InterfacesDepartment of ChemistryVacancy Reference No: MA07682 Salary: £27,319-£35,646 Limit of tenure applies* A postdoctoral position is available in the research group of Dr Alessio Ciulli to study the druggability of pr

[ccp4bb] Two postdoctoral associate positions available

2011-01-20 Thread Carrie Wilmot
Two postdoctoral positions are available immediately in the lab of*/Carrie Wilmot/*(University of Minnesota, Minneapolis, USA) to structurally characterize the catalytic mechanismsof two heme enzymes, chlorite dismutase and MauG. */Chlorite dismutase/***(Cld) is a /b/-type mono-heme enzyme cap

[ccp4bb] Ten days left to apply, and many seats available, for RapiData 2011, our course on Data Collection and Structure Solving at the NSLS.

2011-01-20 Thread Robert Sweet
This may be the last reminder that we are offering RapiData 2011, the thirteenth offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in Macromolecular X-Ray Diffraction Measurement The course will be held 3-8 April 2011. Stud

[ccp4bb] Biophysics positions available

2011-01-20 Thread Käck, Helena
Associate Principal Scientist - Surface Plasmon Resonance specialist AstraZeneca is a major international healthcare business engaged in the research, development, manufacture and marketing of prescription pharmaceuticals and the supply of healthcare services. But we are more than one of th

Re: [ccp4bb] Predefining origin for molecular replacement in polar space group

2011-01-20 Thread Eleanor Dodson
On 01/20/2011 01:44 PM, Shao-Yang Ku wrote: Dear all, Is there a way to specify (somewhat arbitrarily) a origin for any molecular replacement package (in a polar space group) without resorting to phased translation so that one could more easily compare results from different MR runs? Thanks, Sh

[ccp4bb] A small bug in the CCP4 dictionary?

2011-01-20 Thread Thomas Womack
The restraint dictionary for hydrogenated tryptophan, lib/data/monomers/t/TRP.cif, lists a 15-atom plane for the sidechain, omitting the atom HZ2. Unless this is an exciting result derived from neutron diffraction experiments, would it be possible to fix the dictionary? Yours sincerely, Thoma

Re: [ccp4bb] Low resolution MR

2011-01-20 Thread Randy Read
As Sacha suggests, if you were working on the ribosome, then MR at 8.5A would probably be straightforward. But what is important is the ratio of the size of the molecule to the resolution limit, and for molecules of a typical size this resolution is almost certainly too low. It basically comes

[ccp4bb] Predefining origin for molecular replacement in polar space group

2011-01-20 Thread Shao-Yang Ku
Dear all, Is there a way to specify (somewhat arbitrarily) a origin for any molecular replacement package (in a polar space group) without resorting to phased translation so that one could more easily compare results from different MR runs? Thanks, Shao-Yang -- Shao-Yang Ku EIPOD Post-do

Re: [ccp4bb] Low resolution MR

2011-01-20 Thread Alexandre OURJOUMTSEV
Dear Simon, If I'm right, the first step in the solution of the 50S particle by Nenad Ban was MR with EM envelope. There are also a few articles in Acta Cryst (roughly last 15 years) on this subject. Best regards, Sacha Urzhumtsev -Message d'origine- De : CCP4 bulletin boa

[ccp4bb] Low resolution MR

2011-01-20 Thread Simon Kolstoe
Dear CCP4bb, I've just started on a new project and was rather excited to see protein spots for my first few crystals at Diamond the other day. The only problem is that the reflections only went out to 8.5A. As it should be possible to get a solution using molecular replacement (and whils

[ccp4bb] PDB changes data in entries?

2011-01-20 Thread Morten Kjeldgaard
I was comparing the two most recent versions of PDB entry 1c75 today, namely version 3 and 4. REVDAT 4 24-FEB-09 1C751 VERSN REVDAT 3 01-APR-03 1C751 JRNL REVDAT 2 14-FEB-01 1C751 JRNL REMARK REVDAT 1 22-MAR-00 1C750 I was puzzled to find that there are chang