[ccp4bb] def.site file of HKL2000 for Bruker X8 proteum

2008-02-19 Thread shi jiahai
Dear everyone, sorry for the non-CCP4 question. I would to process the image files (.sfrm file) from Bruker X8 proteum by HKL2000. Is there anybody have a def.site file of HKL2000 that works with the .sfrm images taken by the Bruker's Proteum Pt135 CCD detector? Thanks in advance! Best Regard

Re: [ccp4bb] def.site file of HKL2000 for Bruker X8 proteum

2008-02-19 Thread Bram Schierbeek
Dear Shi, The def.site file is specific for each individual CCD detector, so you cannot use any other def.site file from any other user of an X8Proteum system. If you do, indexing and hence processing will not work as it should. If you have a HKL2000 license, there should be a def.site present

[ccp4bb] Mosflm P21 integrating issues

2008-02-19 Thread Andrew Dore
Dear ccp4 comrades, I have a problem I hope someone can help with. I am attempting to index and integrate a number of datasets which will all index (with mosflm) and scale (with scala) in P21 with low penalty scores and low Rmerge respectively. However, when ipmosflm integrates, about 75% o

Re: [ccp4bb] References for ligand flipping

2008-02-19 Thread Ohren, Jeffrey
Kendall, All, One classic example that comes to mind is the multiple binding modes that have been structurally described for the drug Gleevec AKA Imatinib. Gleevec or closely related analogs have been shown to bind to the kinases Abl (1) and c-Kit (2) in a Phe-out conformation of the conserved

Re: [ccp4bb] References for ligand flipping

2008-02-19 Thread David Komander
Hi Kendall, in cAMP-dependent protein kinase (PKA) in complex with the bisindolyl maleimide inhibitor BIM-2, two conformations of the inhibitor are seen in the two kinase molecules of the asymmetric unit. Gassel M, Breitenlechner CB, König N, Huber R, Engh RA, Bossemeyer D. The protein kinase C

Re: [ccp4bb] Mosflm P21 integrating issues

2008-02-19 Thread Roger Rowlett
Andrew Dore wrote: Dear ccp4 comrades, I have a problem I hope someone can help with. I am attempting to index and integrate a number of datasets which will all index (with mosflm) and scale (with scala) in P21 with low penalty scores and low Rmerge respectively. However, when ipmosflm integrat

Re: [ccp4bb] References for ligand flipping

2008-02-19 Thread Yong Y Wang
Kendall, The story has been published. The lead paper is here: Norman, B. H.; Dodge, J. A.; Richardson, T. I.; Borromeo, P. S.; Lugar, C. W.; Jones, S. A.; Chen, K.; Wang, Y.; Durst, G. L.; Barr, R. J.; Montrose-Rafizadeh, C.; Osborne, H. E.; Amos, R. M.; Guo, S.; Boodhoo, A.; Krishnan, V.;

Re: [ccp4bb] Mosflm P21 integrating issues

2008-02-19 Thread Lijun Liu
If the number ~75% was ALWAYS true for all datasets, while not a SG error, not cracks/twinning, not a mosaicity problem and not here and there, then I would BET the REAL oscillation angle for each img for all datasets should be 4 times as what what input while the steps stayed correct. (For instanc

[ccp4bb] TCL/TK and BLT distro for Mac Leopard

2008-02-19 Thread Steven Muchmore
All; Has anyone been able to compile Tcl/Tk and Blt for Mac OS X Leopard (10.5.2)? I'm having problems with the out of the box distribution. When I run the build_tcl_tk.sh script, it stops with the following error: . . .

Re: [ccp4bb] TCL/TK and BLT distro for Mac Leopard

2008-02-19 Thread Andreas Förster
Dear Steven, I've struggled with this for the longest time. Neither the source from ccp4 nor from sourceforge works. What did the trick for me was to download the entire ccp4 distribution ftp://ftp.ccp4.ac.uk/ccp4/6.0.2/binaries/ccp4-6.0.2-osx-i386.dmg.gz This contains a package for tcl/tk an

[ccp4bb] FW: CCP4 web-newsletter 47 (Winter 2007-2008)

2008-02-19 Thread Remacle, F (Francois)
Apologies for the duplicate message, it seems the link in the previous message might now work. Here is it again, corrected. __ From: Remacle, F (Francois) Sent: 19 February 2008 16:06 To: CCP4-dev; '[EMAIL PROTECTED]' Subject:CCP4 web-

[ccp4bb] CCP4 web-newsletter 47 (Winter 2007-2008)

2008-02-19 Thread Remacle, F (Francois)
Dear users and developers, This is my great pleasure to announce the release of the long awaited winter 2007-2008 issue of the web-based CCP4 newsletter. I hope all of you will enjoy the reading of these interesting articles. You can find the newsletter and the past issues at www.ccp4.ac.uk/n

Re: [ccp4bb] crashing-out protein eluted from Nickel column

2008-02-19 Thread Sophia Tsai
Hi, Agreed on this. I used to have issues with aggregation due to the Nickel being stripped off the column (happens with elution in imidazole). Adding 10mM EDTA to the elution immediately AFTER it has come out of the column will chelate the Ni++ and prevents aggregation (at least in my case). Afte

Re: [ccp4bb] TCL/TK and BLT distro for Mac Leopard

2008-02-19 Thread Ethan Merritt
I've been fighting a similar problem here on linux. My solution was to "downgrade" the tcl + blt packages to use tcl version 8.4. Tcl version 8.5 is not working happily here with ccp4i. That still leaves me with a few CCP4 components that complain about version incompatibilities, but I assume tho

Re: [ccp4bb] crashing-out protein eluted from Nickel column

2008-02-19 Thread price
An added benefit of EDTA is that it inhibits some proteases - for one of our wimpier proteins, spiking each fraction collector tube with a little EDTA before running the Ni column really helped reduce keep the sample in one piece. Phoebe At 01:18 PM 2/19/2008, Sophia Tsai wrote: Hi,

Re: [ccp4bb] TCL/TK and BLT distro for Mac Leopard

2008-02-19 Thread Steven Muchmore
Andreas; Thanks for the suggestion. The distribution you pointed me at doesn't work either, the bltwish application segmentation faults. It might be a 64bit vs 32 bit thing, since I'm using a Mac Pro 64 bit machine. I guess I get to go back to the makefile for blt. Thanks again, Steve --- An

Re: [ccp4bb] TCL/TK and BLT distro for Mac Leopard

2008-02-19 Thread Steven Muchmore
Hi Ethan; I got the distributed version to work -- you can't use the installer to put the program in anything other than the /usr/local/ filesystem. It turns out I can't use fink effectively since I need two things: To install from behind a firewall (a pain with fink) and portability of executa

[ccp4bb] brom- / iodo- DNA source?

2008-02-19 Thread JINJIN ZHANG
Dear all, Where is a good place to order brom-cytosine or iodo-dC? Thanks. Best, Jinjin Zhang

Re: [ccp4bb] rescuing crashing-out protein eluted from Nickel column

2008-02-19 Thread Charlie Bond
Hi Jacob, Two points which I don't think others have mentioned: Have you checked the pH of your imidazole (or pHed the solution before elution)? It may be that the imidazole has driven up your pH, causing protein to crash out. You can add various things to fraction tubes prior to elution so t

Re: [ccp4bb] Check the conformation of one important amino acid

2008-02-19 Thread Li Zhijie
Sorry, I just figured out how to post to the CCP4bb instead of sending a private email. Here are two missed messages that I think should appear on the board: - Original Message - From: "Miles Pufall" <[EMAIL PROTECTED]> To: "Zhijie LI" <[EMAIL PROTECTED]> Sent: Tuesday, February 19, 2

[ccp4bb] postdoc position

2008-02-19 Thread Song Hai Wei
A postdoctoral position is available in the laboratory of Macromolecular Structure, Institute of Molecular and Cell Biology, Singapore. The laboratory is fully equipped for biochemical experiments, and with state-of-the-art crystallographic facilities including a Rigaku FRE X-ray generator eq