[ccp4bb] Postdoctoral position, Karolinska Institute, Stockholm, Sweden

2009-04-07 Thread Bernhard C. Lohkamp
*Postdoctoral position in structural biology of protein complexes in nerve development and disease* Dept. of Medical Biochemistry and Biophysics, Karolinska Institute A postdoctoral position is available immediately in the Molecular Structural Biology group at the Karolinska Institute in Stock

[ccp4bb] Postdoctoral Research Scientist, Cambridge, UK.

2009-04-07 Thread Lisa Baker
Job Title Postdoctoral Research Scientist Description Vernalis is a specialist bio-pharmaceutical company with a marketed product, frovatriptan, several product candidates in clinical trials and a research capability based on structure-based drug discovery technologies. We are seeking a macromolecu

Re: [ccp4bb] soaking with Samarium chloride

2009-04-07 Thread Shao-Yang Ku
Hi Amit, I wouldn't worry about acetate depleting the Sm3+. I have tried to make a derivative of a kinase by soaking ions of lanthanoid series but in the presence of phosphate buffer and ADP. In this case, lanthanoid ions are *known* to precipitate with phosphate (and phosphoryl moiety).

[ccp4bb] Second coordination sphere of a metal ion

2009-04-07 Thread Nicholas Keep
I have a 3.0 A structure which has a Mg liganded by a His NE and a substrate carboxylate at around 2.1 -2.3 A. There are a number of other potential liganding amino acid atoms at between 3.2 and 4.5 A. This is clearly longer than the direct bonding distances found by Harding http://journals.iuc

Re: [ccp4bb] Manganese buffers for protein crystallization

2009-04-07 Thread Daniel Dowling
Hi Matt, In addition to the other helpful comments, I have also found that if you are using reducing agent, this complicates issues furthers due to metal complexation, I suppose. If you do need a reducing agent for your protein, I would suggest adding TCEP instead of BME or DTT, as this ha

[ccp4bb] Recompiling getax for large maps

2009-04-07 Thread Vidya Chandran
Dear All, I am trying to use getax for finding NCS in a map radius of 100A and get the error 'ERROR: more than MAXPTS points in sphere - please recompile'. I am running CCP4 6.0.2 on my intel macbook pro. I am not sure which parameter to change in the getax.f file and how to exactly recompile

Re: [ccp4bb] Recompiling getax for large maps

2009-04-07 Thread Clemens Vonrhein
Dear Vidya, On Tue, Apr 07, 2009 at 02:20:42PM +0100, Vidya Chandran wrote: > Dear All, > > I am trying to use getax for finding NCS in a map radius of 100A and get > the error 'ERROR: more than MAXPTS points in sphere - please recompile'. I guess you're using a sphere of radius 100A for sear

[ccp4bb] ccp4mg colours

2009-04-07 Thread Ambrose Cole
Hi all I've got a quick question regarding ccp4mg which hopefully isn't rtfm. I'm making some pictures at the moment and the inner artist in me is feeling slightly limited by the 17 colours on offer. Is there any way of adding RGB definitions. I've had a little play with the colours.def and colo

[ccp4bb] ccp4mg question

2009-04-07 Thread Ambrose Cole
I've found out how to do it on ccp4mg but I was working with the new QtMG, still can't find where to do it there though. Ambrose This communication is from Cancer Research UK. Our website is at www.cancerresearchuk.org. We are a charity registered under number 1089464 and a company limited by

[ccp4bb] temporary files in CCP4i/Refmac

2009-04-07 Thread Tom Huxford
Greetings, I have a feeling that this is a stupid question. But I am baffled here and I need some help: I am working with a solid 3.0 Angstrom native data set. Processed in HKL2000. I created the mtz file and used a homemade poly-Ala model as a probe for molecular replacement. Both PHASER and

Re: [ccp4bb] Second coordination sphere of a metal ion

2009-04-07 Thread Christian Biertuempfel
Hi Nick, Have you checked the web services provided by Marjorie Harding? http://tanna.bch.ed.ac.uk/index.html http://eduliss.bch.ed.ac.uk/MESPEUS/ Maybe, you can also find information about water mediated contacts over there. The first web site gives also some links to other interesting web pages