Re: [ccp4bb] to detwin the twinned data

2007-02-07 Thread James Irving
shivesh kumar wrote: Dear all, Can u suggest me any method to detwin the twinning data(2.2A).Any suggestions are welcome.Thanx in advance. Shivesh Hi Shivesh, For a partially twinned dataset with a twinning fraction not too close to 0.5, from the command line: % mkdir my_dir % sfcheck >my_

Re: [ccp4bb] to detwin the twinned data

2007-02-07 Thread Shankar Prasad Kanaujia
Dear shivesh, As far as I know, you can use detwin program from CCP4. Another option is to use CNS (there is separate directory called xtal_twin where all necessary input files are there for twinned data). Best of luck. --- Yours Sincerely, Shankar Prasad Kanaujia Research Student C/O - Dr. K.

[ccp4bb] to detwin the twinned data

2007-02-07 Thread shivesh kumar
Dear all, Can u suggest me any method to detwin the twinning data(2.2A).Any suggestions are welcome.Thanx in advance. Shivesh

[ccp4bb] What not to publish?

2007-02-07 Thread Richard Gillilan
I'm sure many of you have been in this situation before, so I would be interested in your opinion. I'm about to submit a paper containing the structure of a liganded protein. The ligand itself is rather uninteresting, but it induces an important conformational change. I solved a second str

[ccp4bb] Thanks and acknowledgement for contributions

2007-02-07 Thread Bernhard Rupp
Dear All, I want to collectively thank all colleagues who submitted - and hopefully will continue to submit - material in response to my inquiries. I often get so much - thank you - that I cannot possibly use everything that is in principle useable, and I have to make a selection. So I will than

Re: [ccp4bb] model bias after MR and rigid body

2007-02-07 Thread Eleanor Dodson
Presumably you only want to see if the mutation has been successful, and check for other gross changes? It would not be sensible to try to get a well refined model from such low resolution, espec if there is already a structure M" with better data.. So the problem of model bias in refinement is

[ccp4bb] model bias after MR and rigid body

2007-02-07 Thread weikai
Hi All: There are two published x-ray structures (very similar, RMSD<1A if ignore 2 loops) available for a wild-type protein; let's call these two structures M1 and M2. They belong to the same space group but with large differences in unit cell dimensions (over 10%, or 10A in each dimension, cros

[ccp4bb] Crystallisation/Crystallography commercial permenant positions in Central London ONE WEEK TO APPLY

2007-02-07 Thread Nicholas Keep
There is just one week left to apply for these jobs Structural Biologists (X-ray Crystallography) Central London (REF. SB0107) Cancer Research Technology (CRT) is a specialist oncology company, which develops discoveries arising from Cancer Research UK and other prestigious oncology focused org

[ccp4bb] Call for proposals in neutron protein crystallography at the ILL

2007-02-07 Thread
Call for proposals in neutron protein crystallography at the ILL You are invited to apply for beam time for the neutron Laue diffractometer, LADI-III, at the Institut Laue Langevin, Grenoble, France. The deadline for proposal submission is Tuesday, 6 March 2007, midnight (Central European time)

[ccp4bb] PhD studentship in structural biology, Medical Research Council and Cambridge University

2007-02-07 Thread Leonid Sazanov
Applications are invited for the Medical Research Council-funded PhD studentship, to be held in the MRC Dunn Human Nutrition Unit in Cambridge, for the following project to commence in October 2007: Structure of bacterial respiratory complex I We study the structure of complex I of respiratory

Re: [ccp4bb] Progress in membrane protein cryo-protect

2007-02-07 Thread Hubing Lou
First of all, thanks very much for those who replied to my question. For those who do not follow this thread, I was asking a cryo question about membrane protein crystals grown at 4C with 0.05-0.2M AS (ammonium sulfate) and 15-26%PEG400. Some of you suggested directly freeze the crystal in LN fro

Re: [ccp4bb] MOSFLM question

2007-02-07 Thread Leslie A.
Fixing the mosaic spread durign cell refinement or integration. To comment further on Anita's recent reply. The keywords "POSTREF FIX MOSAIC" should correctly fix the mosaic spread at the input value (although it will still be refined) both when entered using the "Keyword Input" menu option with