[ccp4bb] Call for MX-beamtime proposals for BESSY-Berlin, Deadline: August 15th 2007

2007-07-16 Thread Uwe Mueller
MX-beamtime at BESSY-Berlin period: January/2008 - December/2008 Next MX-proposal application deadline: August 15th 2007 See: http://www.bessy.de/boat/www/ We kindly request MX-proposals for beamtime applications for the next beamtime period: January/2008 - December/2008. In order to app

Re: [ccp4bb] need help for viewing hardware stereo

2007-07-16 Thread mjvdwoerd
It could be a hardware problem or it could be a mis-configuration. The card you list DOES support stereo viewing in all crystallographic applications, I am sure, because we have the same hardware (except our computers are 64 bit and we run CentOS operating system, but otherwise identical). As

Re: [ccp4bb] need help for viewing hardware stereo

2007-07-16 Thread Stuart Endo-Streeter
Are you using the NVidia drivers and if so, how have you configured your xorg.conf file? It may be a hardware or a configuration issue. A fellow lab here was having a problem with no OpenGL programs running properly and odd resolution issues after installing the NVidia drivers, turned out the

Re: [ccp4bb] need help for viewing hardware stereo

2007-07-16 Thread venkadesan krishnan
Dear all, I think our earlier posting is not clear. So we would like to draw to your attention regarding our stereo viewing problem. As Dr. Paul Emsley suggested it seems to be a harware problem, we are experiencing the same problem not only using coot but other programs too. We will

Re: [ccp4bb] need help for viewing hardware stereo

2007-07-16 Thread Paul Emsley
Hello venkadesan krishnan, On Mon, 2007-07-16 at 15:57 -0500, venkadesan krishnan wrote: > Hello everyone, > We have bought a new Dell Precision Workstation > 690 (32-bit) and installed Fedora core 6. We are having problem while > viewing molecules in harware stereo mode usin

[ccp4bb] ARP_wARP 7.0 release

2007-07-16 Thread Victor Lamzin
Dear all, We are happy to announce the release of ARP/wARP version 7.0 Please visit http://www.arp-warp.org for details and software download. The major improvements are: • A new module for ultra-fast low resolution tracing of helical and beta-stranded fragments at resolution down to 4.5 A. •

[ccp4bb] need help for viewing hardware stereo

2007-07-16 Thread venkadesan krishnan
Hello everyone, We have bought a new Dell Precision Workstation 690 (32-bit) and installed Fedora core 6. We are having problem while viewing molecules in harware stereo mode using programs coot, pymol, etc. The graphics card came with system is, 256MB PClex16 nVidia Quadro Fx

Re: [ccp4bb] Refining an acyl-enzyme intermediate

2007-07-16 Thread Radisky, Evette S. Ph.D.
I am forwarding an answer I sent previously in response to a similar question. We used refmac5 to refine a number of acyl-enzyme structures: Radisky ES, Lee JM, Lu CJ, Koshland DE Jr. Insights into the serine protease mechanism from atomic resolution structures of trypsin reaction intermediates.

[ccp4bb] Refining an acyl-enzyme intermediate

2007-07-16 Thread Jaeyong Lee
Dear all, I am trying to refine a serine protease crystal structure using REFMAC5. The density at the protease active site clearly indicates an acyl-enzyme intermediate as a result of nucleophilic attack on P1 substrate residue by the active site serine. The model thus should display serine Og

Re: [ccp4bb] calculate B-factor of individual parts

2007-07-16 Thread Wang, Yeming (NIH/NIEHS) [F]
Moleman2 can do that. You can get it from Uppsala Software Factory. -Original Message- From: fang sheng [mailto:[EMAIL PROTECTED] Sent: Mon 2007-7-16 14:12 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] calculate B-factor of individual parts Dear all, The refmac output lists B-factor of

[ccp4bb] calculate B-factor of individual parts

2007-07-16 Thread fang sheng
Dear all, The refmac output lists B-factor of each individual atom. But how can I get the B-factor of each set of group, say, protein, ligand A, B, and all 300 waters? suzi _ http://liveearth.msn.com

Re: [ccp4bb] about Procheck

2007-07-16 Thread Ethan Merritt
That's interesting. I was not aware that procheck paid any attention to anisotropic ADPs. Try feeding your PDB file to the Parvati web server. It will look for problems with your anisotropic model. http://skuld.bmsc.washington.edu/parvati On Friday 13 July 2007 01:15, Jiamu Du wrote: >

Re: [ccp4bb] Protein-DNA complex for crystallization

2007-07-16 Thread Das, Debanu
Hi, You can try the following to improve your protein-DNA complex crystals: 1) Try HPLC purified oligos. You can get that from IDTDNA instead of the standard desalting form. Alternatively, if you have access to a reverse phase HPLC/column, if you order DNA with Trityl group on, run it on th

[ccp4bb] Scientist Position Available

2007-07-16 Thread Christian Wiesmann
Dear all, We have an opportunity for a highly motivated crystallography scientist to join the protein structure group at Genentech. The successful candidate will participate actively in our structure-based drug discovery programs and engage in the structural elucidation of proteins and pr

Re: [ccp4bb] Protein-DNA complex for crystallization

2007-07-16 Thread Raji Edayathumangalam
Hi Kumar, 1) While you contemplate other ideas, have you tried the following already? - microseeding or macroseeding with the tiny crystals you have? - crystallization using sitting drop vapour diffusion under oil? Often, one gets a burst of nucleation with several tiny crystals. Not sure if thi

Re: [ccp4bb] Protein-DNA complex for crystallization

2007-07-16 Thread Knut Langsetmo
On Jul 16, 2007, at 12:01 PM, bputcha wrote: I am trying to crystallize a protein-DNA complex. I purify the protein finally using gel filtration. I purchase single stranded complementary oligos (desalting from idtdna.com), mix them up How can I purify the duplex DNA further? in my exper

[ccp4bb] Protein-DNA complex for crystallization

2007-07-16 Thread Jack Tanner
Following up on Prof. Rice's suggestions about trying different ends and reading the literature, you might have a look at Crystallization of the yeast MATalpha2/MCM1/DNA ternary complex: general methods and principles for protein/DNA cocrystallization. J Mol Biol. 2000 Apr 7;297(4):947-59. PMID: 1

Re: [ccp4bb] Protein-DNA complex for crystallization

2007-07-16 Thread Mary Fitzgerald
Kumar and Joe- I'm not sure if this helps but I always purified my oligos prior to crystallization. Originally, I would order them with the trityl-group on and purify then on a reverse phase HPLC column and used TFA to cleave on column. Although towards the end of the project, I just ordered the

Re: [ccp4bb] Protein-DNA complex for crystallization

2007-07-16 Thread price
Dear Kumar, One often has to try duplexes with many different ends before getting decent crystals (e.g. 18 for one project in my lab, even more for others). Depending on your Kd, you might find that your complex falls apart during gel filtration. How long are your oligos? Gel purification som

Re: [ccp4bb] Protein-DNA complex for crystallization

2007-07-16 Thread JOE CRYSTAL
Hi Kumar, I also have the same issue. If you get any helpful response, could you forward me a copy? Thank you. P.S. Could anyone who has any comments or suggestions on this issue also forward the response to ccp4bb? Thank you in advance. Best, Joe On 7/16/07, bputcha <[EMAIL PROTECTED]>

[ccp4bb] Protein-DNA complex for crystallization

2007-07-16 Thread bputcha
Hi, I am trying to crystallize a protein-DNA complex. I purify the protein finally using gel filtration. I purchase single stranded complementary oligos (desalting from idtdna.com), mix them up and make DNA duplex by heating to 95 degree C and cooling to room temperature. I mix protein and DNA,

[ccp4bb] Please send in comments on structural genomics to NIH by Friday July 20

2007-07-16 Thread Tom Terwilliger
Dear crystallography colleagues, I very much hope that you have or will send in your comments on the NIH Protein Structure Initiative. You can send in comments until this Friday. I've listed below a few accomplishments of the PSI you may want to mention. I've also added a brief analysis showi

[ccp4bb] standard accessible area of residues

2007-07-16 Thread Hyunchul Kim
Dear all, Could you let me know where I can get or calculate the standard accessible area of residues? I want to determine if a residue is a solvent accessible one or buried one by calculating the ratio of solvent accessible area to standard accessible area. I managed to calculate the solvent ac

Re: [ccp4bb] extend resolution in refmac

2007-07-16 Thread Eleanor Dodson
Do you mean you only have experimental data to 2.3A - if that is the case I am afraid you cant force REFMAC to work to higher resolution. Do you mean you just want SFS calculated to 2.2A ? Eleanor JOE CRYSTAL wrote: Dear all, I am refining a structure in Refmac at 2.3 A and I set resolution