[ccp4bb] Crystallization position, 25793BR, Novartis Pharma, Basel (Switzerland)

2007-04-04 Thread Joerg Kallen
Please apply via the web. Do not email replies to me. A global healthcare leader, Novartis has one of the most exciting product pipelines in the industry today. A pipeline of innovative medicines brought to life by diverse, talented, performance driven people. All of which makes us the most

[ccp4bb] truncate error on x86_64

2007-04-04 Thread Daniele de Sanctis
Dear all, i installed ccp4 6.0.2 on an amd64 machine running Ubuntu 6.10, 64bit version. Everything is running fine except a problem i have with truncate. At the beginning it failed giving a segmentation violation error which i overcame using ulimit -s unlimited. Now I got another error (quite

Re: [ccp4bb] bigger size - better diffraction?

2007-04-04 Thread Jenny
oh, One thing forgot to mention is that I actually collected data in house ( about 70 frames ), the completness is high ( 98%) but the Rmerge is high ( 0.2 ), what does this suggest? On 4/4/07, Jenny [EMAIL PROTECTED] wrote: Hi, All, I got a crystal that diffracts at 3.3A in house.The crystal

[ccp4bb] POSTDOCTORAL POSITION IN PROTEIN COMPLEX CRISTALLOGRAPHY

2007-04-04 Thread Vanessa Llobet
POSTDOCTORAL POSITION IN PROTEIN COMPLEX CRYSTALLOGRAPHY Applications are invited for a postdoctoral position in Prof. Miquel Coll’s group at the Institute of Research in Biomedicine / Institut de Biologia Molecular de Barcelona (CSIC) to work on the structural characterization of protein

Re: [ccp4bb] Summary - Valid to stop Refmac after TLS refinement?

2007-04-04 Thread NM Burton, Biochemistry
Hello, Thanks very much to all who replied with thoughts and suggestions. The consensus was that my interpretation was not correct, and it is not valid to stop Refmac after TLS refinement. People also felt that the RMSD bond/angle of 0.016/1.6 was still a little high. Phenix.refine was

[ccp4bb] Scientist and intern positions open in crystallization group

2007-04-04 Thread Shane Atwell
We have two positions open in our crystallization group, one for a scientist and one for an intern. Please use our website to apply: http://www.sgxpharma.com/careers/opportunities.php Shane Atwell Associate Director, Crystallization SGX Pharmaceuticals 10505 Roselle Street San Diego, CA 92121

[ccp4bb] Detwinning

2007-04-04 Thread Sundaramoorthy, Munirathinam
I am working with crystals with apparent I422 space group but it may be actually I4. Twinning analysis shows twinning fraction of 0.46. I tried to detwin the anomalous data in CCP4. Just to check the files were read and written properly, I wrote the detwinned data in ascii. The numbers look

Re: [ccp4bb] bigger size - better diffraction?

2007-04-04 Thread artem
Hello Jenny, 0.2 Rmerge may be an indication of incorrectly assigned SG or perhaps a misindexing by one, etc. Check what happens if you reprocess in P4. For a 10kDa protein, your unit cell is kind of large - depending of course on the symmetry, the higher obviusly the better. I would bet that

Re: [ccp4bb] bigger size - better diffraction?

2007-04-04 Thread Shane Atwell
Streak seeding all your trays should give you a better handle on nucleation. You might be too high in protein or precipitant w/o the seeding, hence the showering and rare nice crystals. Varying cryos, or cryo concentrations, or how the cryo is added can help a lot. Try 5 or 6 different cryos at 3

Re: [ccp4bb] bigger size - better diffraction?

2007-04-04 Thread Leonard Thomas
The first thing to try before going down the long road of fussing with cryo is to take a shot at room temp. and see how your crystal diffracts in general. It is true it may be a cryo problem, but if the non cryo protected crystals do not diffract then why would one expect the cryo

Re: [ccp4bb] bigger size - better diffraction?

2007-04-04 Thread Elspeth Garman
For room temperature testing, it is much easuier to use a cryoloop enclosed in a capillary (with some mother liqour at the top) or the plastic tubes supplied by MiTeGen as per the method detailed in: Skrzypczak-Jankun, E., Bianchet, M. A., Amzel, L. M. and Funk Jr., M. O. (1996). /Acta

Re: [ccp4bb] bigger size - better diffraction?

2007-04-04 Thread artem
A small comment: crystals that do not diffract well at R.T. can still diffract well when frozen. There are several reasons for this, including: * poor stability of crystal once the drop is open to the air * crystal has low tolerance for handling (capillary mount can be challenging and cause

[ccp4bb] Strange behavior in R32

2007-04-04 Thread dklein
Dear Friends, I have some crystals of a small RNA in sg R32 that exhibit some bizzare behaviors and fail to give phasing solutions. I am hoping someone out there might be able to lend some insight. All crystals come out of the same condition and look the same morphologically but, for reasons

Re: [ccp4bb] Summary - Valid to stop Refmac after TLS refinement?

2007-04-04 Thread Bernhard Rupp
People also felt that the RMSD bond/angle of 0.016/1.6 was still a little high. This was subject of a discussion before on the board and I still don't understand it: If I recall correctly, even in highly accurate and precise small molecule structures, the rmsd of corresponding bonds and angles

Re: [ccp4bb] Strange behavior in R32

2007-04-04 Thread Bart Hazes
Hi Dan, In hexagonal R32 setting there is translational crystallographic symmetry leading to systematic absences. If you think Xtal 5 is basically the same but with slightly different packing that break the symmetry then you will have pseudo-translational symmetry leading to one set of very

Re: [ccp4bb] Summary - Valid to stop Refmac after TLS refinement?

2007-04-04 Thread Dale Tronrud
Bernhard Rupp wrote: People also felt that the RMSD bond/angle of 0.016/1.6 was still a little high. This was subject of a discussion before on the board and I still don't understand it: If I recall correctly, even in highly accurate and precise small molecule structures, the rmsd of