[ccp4bb] Postdoctoral position in computational structural biology

2014-02-18 Thread Bernhard C. Lohkamp
Postdoctoral position in computational structural biology Dept. of Medical Biochemistry and Biophysics, Karolinska Institutet A postdoctoral position is available immediately in the Molecular Structural Biology group at the Karolinska Institutet in Stockholm (http://phillips.mbb.ki.se/). The

[ccp4bb] Post with Jane Endicott and Martin Noble at Newcastle University

2014-02-18 Thread Martin Noble
Dear BBers, I’d like to draw your attention to a post available from immediately until March 2016 working on interdisciplinary structural biology of CDK-containing complexes involved in regulating transcription and/or the cell-cycle. The post, which will be held at the Northern Institute for

Re: [ccp4bb] I/sigmaI or I/sigmaI

2014-02-18 Thread Qixu Cai
http://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php/Calculate_average_I/sigma_from_.sca_file Qixu Cai Email: caiq...@gmail.com School of Life Sciences, Xiamen University, Fujian, China **from thunderbird** On 02/13/2014 12:20 AM, Ronald E Stenkamp wrote: How did people get I/sigmI

[ccp4bb] Postdoctoral position in structural biology at Stockholm University

2014-02-18 Thread Ronnie Berntsson
I'm posting this on behalf of Prof. Pål Stenmark. Please direct all correspondence regarding this position to the email specified below (struct...@dbb.su.se). Cheers, Ronnie Berntsson The Stenmark group study novel cancer targets involved within human nucleotide metabolism. This project is

[ccp4bb] Table in NSMB

2014-02-18 Thread Jan van Agthoven
Dear all, I'm filling out my table for NSMB, about a structure of protein ligand bound to a receptor. They ask for 3 different lines regarding number of atoms bfactor. 1) Protein 2) Ligand/Ion 3) Water. Does my protein ligand belong to Protein or Ligand/Ion? Thanks,

Re: [ccp4bb] Table in NSMB

2014-02-18 Thread Nat Echols
On Tue, Feb 18, 2014 at 8:19 AM, Jan van Agthoven janc...@gmail.com wrote: I'm filling out my table for NSMB, about a structure of protein ligand bound to a receptor. They ask for 3 different lines regarding number of atoms bfactor. 1) Protein 2) Ligand/Ion 3) Water. Does my protein ligand

Re: [ccp4bb] Table in NSMB

2014-02-18 Thread Matthew Franklin
Hi Jan - I believe that ligand in this case refers to small molecule ligands, e.g. ATP or NADPH. If your ligand is a protein or even a peptide, I think it belongs in the protein category. (Thus, you may have no ligand atoms, unless you have bound sulfate, PEG, etc.) - Matt On 2/18/14

Re: [ccp4bb] Table in NSMB

2014-02-18 Thread Nicholas Keep
I would have thought that ligands are ligand/ion?. What I have just done with a recent structure and I await the reviewers noticing or not is include the ethylene glycol from the cryo that I can (probably) see in a solvent (rather than water) atom number and bfactor line along with water

Re: [ccp4bb] Table in NSMB

2014-02-18 Thread Nicholas Keep
Sorry misread the initial post. Yes a protein ligand should be in the protein but you could give B factor number for each chain- my comments about what goes in ligand and what in solvent may be of general interest/comment Nick -- Prof Nicholas H. Keep Executive Dean of School of Science

[ccp4bb] AW: [ccp4bb] Table in NSMB

2014-02-18 Thread Herman . Schreuder
If the ligand is a bona fide protein (more than a few amino acids and its own stable fold), I would include it under protein. However it is a matter of taste and, as Nat says, it will probably be dumped in the supplementary materials to be never looked at again. Herman Von: CCP4 bulletin

[ccp4bb] Data Analysis Scientist Post at Diamond Light Source

2014-02-18 Thread Alun Ashton
We are looking for a high calibre software scientist to join our scientific software group to work on visualization and analysis of diffraction and spectral data. The group have the responsibility for the provision of advanced data evaluation, analysis and visualization software applications

Re: [ccp4bb] AW: [ccp4bb] Table in NSMB

2014-02-18 Thread Jan van Agthoven
Thanks for all responses, Yes I'll keep my ligand in the protein section, and will add extra information regarding the ligand/receptor. They actually asked for separate b-factors during review, so I guess they'll be willing to see it in the final table. Jan 2014-02-18 11:39 UTC-05:00,

Re: [ccp4bb] create a lower resolution data set by truncating a high resolution data

2014-02-18 Thread James Holton
I agree that simple truncation is not a great way to create a lower-resolution dataset. However, neither is simply applying a B factor. It is harder than that to fool the downstream phasing programs you will probably be running. That said, the combination of a B factor with a resolution

[ccp4bb] High Salt Cryo

2014-02-18 Thread Katherine Sippel
Hi all, I'm looking for a cryo condition for high NaCl (3+ M) crystallization condition. I would do it the proper way, but our beam/cryostream is down. I've tried a bunch of things at the moment. Ethylene glycol and PEG 400 nuke the crystals immediately even at low concentrations. Prolonged

[ccp4bb] Symmetry problem

2014-02-18 Thread Monika Coronado
Dear, Does anyone know how to merge two molecules with different symmetry? I will explain: I have done the molecular replacement using the domains of the molecules separately, now I have to put all together, however they have a different symmetry. I will appreciate any kind of help. Regards,

Re: [ccp4bb] High Salt Cryo

2014-02-18 Thread Roger Rowlett
How about a short swish in well solution + 25-30% glucose? Doesn't take long to cryoprotect, just a quick sufrace coat. Sodium malonate? We just froze some really fragile crystals from 1.8 M sodium formate in 3 M sodium malonate and they held up really well. (Still didn't improve their

[ccp4bb] stereo emitter

2014-02-18 Thread Oganesyan, Vaheh
Colleagues, I was happily using my NuVision 60GX emitter with Quadro FX1400 graphics card for number of years on CRT and recently something went bad and image will flip regularly sending front to back and vice versa. First I thought the card went bad but after installing new one nothing

[ccp4bb] Reminder: International Summer School of Crystallography 2014 DESY Hamburg

2014-02-18 Thread Gati, Cornelius
Dear ccp4bb, this is a gentle reminder for the application deadline of the International Summer School of Crystallography, held in Hamburg, Germany. The deadline will be the 28th of February. For further information please visit our website: http://conferences.cfel.de/issc14 In case you are

Re: [ccp4bb] stereo emitter

2014-02-18 Thread Sabuj Pattanayek
Did your OS/nvidia driver get upgraded? There's a bug in all of the modern nvidia drivers that cause this on the quadro 1300/1400 series. It works fine with the older nvidia drivers, e.g. 173.14.31 (note the legacy 9x.xx.xx drivers have the same problem). We're still able to use that version of

[ccp4bb] Number unique reflections (all)

2014-02-18 Thread Kavyashree Manjunath
Dear Users, Which value in scala log file indicate the Number of unique reflection (all) that needs to be entered during the deposition of structure in RCSB. Thank you Regards Kavya -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be