Re: [ccp4bb] Freezing crystal

2012-02-06 Thread Savvas Savvides
Dear Theresa Cryo-cooling the crystals straight out of their drops or after brief incubations in crystal stabilization solutions containing 2M ammonium sulfate may be the way to go. Here is a copy/paste piece from Kyndt et al (2007) Biochemistry 46, 95-105. All the best Savvas Aliquots (0.5 í

[ccp4bb] Soaking Kinase Crystals with ATP analogues

2012-02-06 Thread Dianfan Li
Dear all, Thanks a lot for good suggestions on this topic. To answer some of the questions: The apo strucuture has not been solved; the crystals dissolved upon soaking (my term 'crack' was not accurate); and I have not tried co-crystallization. A brief summerization here: 1)

[ccp4bb] Computational Systems Biology Postdoctoral Position in Translational Computational Systems Biology

2012-02-06 Thread Forness, Jessica D
Computational Systems Biology Postdoctoral Position in Translational Computational Systems Biology Outstanding Postdoctoral applicants are sought in Computational Systems Biology to work with Professor Jeffrey Skolnick at the Georgia Tech Center for the Study of Systems Biology in the following

[ccp4bb] Computational Systems Biology Postdoctoral Position in Methods Development

2012-02-06 Thread Forness, Jessica D
Computational Systems Biology Postdoctoral Position in Methods Development Postdoctoral applicants are sought in Computational Systems Biology to work with Professor Jeffrey Skolnick. Specific areas include the development and application of novel algorithms for the: • Protein biochemical

[ccp4bb] Postdoc in Novel Technique Development at Diamond Light Source

2012-02-06 Thread elizabeth . duke
Dear All This is rather off topic for the CCP4 BB but I would like to draw people's attention to developments currently taking place at diamond. We require a postdoctoral scientist to join an exciting and innovative project to develop methods associated with the soft X-ray imaging of

[ccp4bb] Postdoctoral position at Institut Pasteur Paris

2012-02-06 Thread Nicolas Reyes
A postdoctoral position is available in the Laboratory of Molecular Mechanisms of Membrane Transport at the Institut Pasteur in Paris (France) to study excitatory neurotransmitter transporters. Our work focuses on the structural, energetic and dynamic components of the function of these membrane

Re: [ccp4bb] off-topic:schematic representations for secondary structure

2012-02-06 Thread Christian Roth
Aline does also read a dssp file and print the schematic representation above. Probably this is also possible with STRAP. I am not sure which program exactly the pdb use for their diagrams. Regards Christian Am Samstag 04 Februar 2012 12:11:09 schrieb Vellieux Frederic: I believe Procheck

Re: [ccp4bb] Freezing crystal

2012-02-06 Thread Ed Pozharski
On Sun, 2012-02-05 at 22:49 +, Theresa H. Hsu wrote: Crystals are from 2 M ammonium sulfate. begin \personal_bias Sodium malonate is your friend http://scripts.iucr.org/cgi-bin/paper?fw5004 end -- Oh, suddenly throwing a giraffe into a volcano to make water is crazy?

[ccp4bb] sftools expand

2012-02-06 Thread wtempel
Hello, here is a question about the EXPAND command in SFTOOLS, specifically its effect on a free reflection flag. Do the flag values get copied to newly generated reflections based on symmetry, for example in the case of a P622 - P6 expansion? many thanks, Wolfram Tempel

Re: [ccp4bb] sftools expand

2012-02-06 Thread Bart Hazes
On 12-02-06 08:37 AM, wtempel wrote: Hello, here is a question about the EXPAND command in SFTOOLS, specifically its effect on a free reflection flag. Do the flag values get copied to newly generated reflections based on symmetry, for example in the case of a P622 - P6 expansion? many thanks,

[ccp4bb] tcl tk RHEL 6.2

2012-02-06 Thread Kenneth A. Satyshur
I just installed ccp4 6.2.0 on a new RHEL6.2 system and I get this error. Anyone know how to fix this? I installed tcl and tk into the system but ccp4 seems to want to use its own version. [xray@paprika ~/Desktop]$ /home/xray/ccp4/ccp4-6.2.0/ccp4-6.2.0/bin/ccp4i:

Re: [ccp4bb] Freezing crystal

2012-02-06 Thread Kris Tesh
When using oil on protein crystal mounts I suggest: 1.  once the crystal is under oil, remove as much adhered solution from the crystal surface. 2.  if there are any volatile components in your drop condition, presaturate the oil with that solvent. 3.  consider using perfluoropolyether since

Re: [ccp4bb] Freezing crystal

2012-02-06 Thread Enrico Stura
Theresa, Several suggestions that have been given are excellent advice: Li salts suggested by Tommi Kajander is what I would use in particular: 80% saturated lithium sulfate. This should work. I would be very surprised if it does not. Malonate as suggested by Sean Seaver is another great idea,

Re: [ccp4bb] protein structure for high schoolers

2012-02-06 Thread Joel Sussman
6-Feb-2012 Dear Marilyn Have you looked at Proteopedia [www.proteopedia.orghttp://www.proteopedia.org], see e.g. http://proteopedia.org/w/DNA http://proteopedia.org/w/Forms_of_DNA http://www.proteopedia.org/w/HIV-1_protease http://www.proteopedia.org/w/Proton_Channels and many more. n.b. How the

Re: [ccp4bb] tcl tk RHEL 6.2

2012-02-06 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear kas, The error message (bad ELF interpreter) suggests a mismatch between a 64bit library and a 32bit binary (or vice versa), i.e. your system may lack compatibility libraries to run 32bit programs. These are usually available for linux

[ccp4bb] SAXS workshop

2012-02-06 Thread Luthra,Amit
Hello If I am not wrong, there was one posting related with SASX workshop where we can also bring own samples. Does someone have that information? Please send me the link. Thanks a lot Amit

Re: [ccp4bb] SAXS workshop

2012-02-06 Thread Charles Allerston
http://www.embl-hamburg.de/training/events/2012/SAXS/ -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Luthra,Amit Sent: 06 February 2012 17:27 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] SAXS workshop Hello If I am not wrong, there was one

Re: [ccp4bb] tcl tk RHEL 6.2

2012-02-06 Thread Michel Fodje
Your 64bit system does not have the 32bit LSB libraries installed. Install the packages redhat-lsb.i686 and redhat-lsb-graphics.i686 using yum as follows: yum install redhat-lsb.i686 redhat-lsb-graphics.i686 -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On

Re: [ccp4bb] Freezing crystal

2012-02-06 Thread Prince, D Bryan
Dear Theresa, Gary Gilliland's paper on cryosalts would seem to be useful for your problem. http://scripts.iucr.org/cgi-bin/paper?en0028 Also, I have used 15% glycerol in a synthetic mother liquor to effectively freeze crystals grown in 2M Ammonium Sulfate. Another method that Jim Pflugrath

Re: [ccp4bb] SAXS workshop

2012-02-06 Thread David Schuller
On 02/06/12 12:26, Luthra,Amit wrote: Hello If I am not wrong, there was one posting related with SASX workshop where we can also bring own samples. Does someone have that information? Please send me the link. Thanks a lot Amit http://www.chess.cornell.edu/BioSAXS%20course/index.htm

Re: [ccp4bb] SAXS workshop

2012-02-06 Thread Robert Sweet
And here's one from Brookhaven -- app. deadline is three weeks away: http://workshops.ps.bnl.gov/default.aspx?w=SAXSMar2012 http://www.chess.cornell.edu/BioSAXS%20course/index.htm Getting Started in Biological Small-Angle X-ray Solution Scattering Feb 24-26, 2012 Students will

[ccp4bb] Summer Internship at Merck for Ph.D. students

2012-02-06 Thread Strickland, Corey
All, We have a summer internship opening at Merck (see below for the details) for graduate students in the Global Structural Chemistry/X-ray crystallography/Biomolecular NMR group at either its Kenilworth, NJ or West Point, PA sites. Internships will begin in early June 2012, and will run

Re: [ccp4bb] Freezing crystal

2012-02-06 Thread Theresa H. Hsu
Hi all Thanks for all the suggestions which I will try soon. How do the crystallization condition (PEG vs. salts like ammonium sulfate) affect the croyprotectant condition? Do factors like presence of low concentration of high molecular weight PEG ( 2000) mean PEG is better? Do buffers and

[ccp4bb] CASP Roll: Call for novel fold and membrane protein targets to help improve structure modeling methods

2012-02-06 Thread Torsten Schwede
Dear colleagues, As many of you know, the CASP community experiments have been running once every two years since 1994, collecting information on soon to be solved structures from the experimental community, and passing on sequence data to the structure modeling community so that blind

[ccp4bb] shape complementarity between protein and DNA surface

2012-02-06 Thread Deepak Thankappan Nair
Dear All For calculation of the shape complementarity index using the Sc program between a protein and DNA surface, does anybody have a modified radii.lib file that includes information about DNA atoms? Also, is there any reference that has information regarding the atomic radii of DNA atoms?

Re: [ccp4bb] Freezing crystal

2012-02-06 Thread Herman . Schreuder
Hi Theresa, What works well for me, is to use like with like, e.g. to use salts or salt-like cryoprotectants for salt conditions (e.g. malonate, li-sulfate, sucrose/xylitol for ammonium sulfate conditions) and glycerol, low mw PEG etc. for PEG and other alcohol conditions. I have very bad