Re: [ccp4bb] Dry shippers

2008-08-25 Thread Stephan Ginell
Hi Peter, At APS/SBC sector 19 all shipping dewars are turned upside down until all LN2 drains out, this is repeated 2-3x times to remove the residual caught in the top. With this method there is no free LN2 remaining in the dewars to leak out. During the upside down tipping the dewars must not be

[ccp4bb] Position announcement

2008-08-25 Thread CB Bian
A postdoctoral position is available to continue our study on the crystal structures of blood coagulation proteins, particularly Factor VIII (Structure. 2008;16:597-606). This is the protein missing in hemophilia. The candidate should have a sound knowledge and experience in protein X-ray crystallo

Re: [ccp4bb] Problems installing MOSFLM on Leopard

2008-08-25 Thread harry powell
Hi folks that should have read "OS X .app (i.e.)" On 26 Aug 2008, at 03:03, harry powell wrote: If there is demand for an OS X (i.e. something that you double click the icon to run) I can supply Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, C

Re: [ccp4bb] Problems installing MOSFLM on Leopard

2008-08-25 Thread harry powell
Hi It looks as if you are trying to run Mosflm as a Mac application (or ".app", for the cognoscenti); the short answer is that it isn't one, and that you run it as an X11 command-line program. You can't double click the icon to run it even if you associate it with an application like xter

Re: [ccp4bb] protein degradation

2008-08-25 Thread Artem Evdokimov
Likewise, incorporation of 30% (or even more) of ethylene glycol, polyethylene glycol, propylene glycol etc. may save you from proteolysis. This did not work for me but a friend of mine has had very good luck with it. Kind of hit/miss method, though. Artem -Original Message- From: CCP4 bu

[ccp4bb] Dry shippers

2008-08-25 Thread Peter Zwart
Dear all, Due to the presence of residual liquid nitrogen in dry shippers 'steaming' out of a tipped-over dewar on a Fedex dock, we (PX-ers in the ALS) have been placed under some scrutiny with regards to dry-shipping dewars. In particular, I am interested in how people empty their dewars/pucks/vi

[ccp4bb] Problems installing MOSFLM on Leopard

2008-08-25 Thread Terry Gunderson
Hi there! Real noobie question here- I am hoping someone can help me. I have been trying to download and install MOSFLM from the pre-built versions here: http://www.mrc-lmb.cam.ac.uk/harry/mosflm/ver703/pre-built/index.html Specifically, I am trying to install the "Universal" version for OSX (al

Re: [ccp4bb] CCP4i on MacPro under Leopard

2008-08-25 Thread William Scott
Glad it worked. I should have written "sudo /bin/bash" or "sudo /bin/zsh" or "sudo /bin/tcsh" followed by sourcing the appropriate startup script. However, if I run the tcsh command, I get this error: limit: stacksize: Can't remove limit (Invalid argument) oddly, this does not happen wit

[ccp4bb] Air Conditioning System for Optical Hutch

2008-08-25 Thread Lucas Sanfelici
Hello Everyone!... I'm starting to thing about an air conditioning system for the optical hutch of one of our beamlines, which suffers from positional and energy drifts associated with several sources. It's clear that the specifications for such system can cover a wide range of requirements. H

[ccp4bb] Postdoctoral Position (Structural Biology of the Actin Cytoskeleton, University of Pennsylvania School of Medicine)

2008-08-25 Thread Kyuwon Baek
A postdoctoral position is available immediately to study the structure and function of actin cytoskeleton dynamics. The actin cytoskeleton is a vast area, involving actin-binding proteins, signaling proteins, cytoskeleton scaffolding and membrane binding proteins. Most of the projects deal with p

Re: [ccp4bb] Wilson plot from truncated.mtz

2008-08-25 Thread Ian Tickle
George & Phil - Having slept on this it's beginning to dawn on me that George is right and my assertion that is the appropriate data to use in MR and F^2-based refinement was incorrect. However my assertion that is the best estimate of F^2 (and that is the best estimate of F) is still valid.

Re: [ccp4bb] calculate occupancy for 2 different ligand binding modes at the same active site

2008-08-25 Thread conancao
Thanks Herman, George and Leo.I will try the methods.Their suggestions are summarized below. Dear Hongnan-- On 25 Aug 2008, at 17:47, conancao wrote:Or does any program could refine the the same ligand with 2 different orientations into a mixed electron density? That's an easy onehttp://scr

[ccp4bb] postdoc position: structural biology of ion channels

2008-08-25 Thread Chris Ulens
A position is available for a post-doctoral researcher (or Ph.D. student) at the Laboratory for Structural Neurobiology at the KULeuven, Belgium. The research in our laboratory is currently focused on the structural determination of several classes of prokaryotic and eukaryotic homologs of

Re: [ccp4bb] CCP4i on MacPro under Leopard

2008-08-25 Thread Anita Bentley
Thanks a lot for this hint: it works! Including REFMAC, which ran to completion and used Arp/Warp to add waters successfully. Anita Le 25 août 08 à 16:04, William G. Scott a écrit : Under 10.5.X, sudo doesn't inherit the environment. So the best thing to do is start a root process like this:

Re: [ccp4bb] agarose-acrylamide composite gels

2008-08-25 Thread Daniel Pomeranz Krummel
Hi Alex, Such gels were used to separate in the past 70S ribosome, plus/minus one protein - so separation is excellent. Cannot recall the references but papers published in the 70s' I believe. The agaose is used to provide "strength" to low percentage acrylamide, say 3% acrylamide/0.5% agarose. J

[ccp4bb] TLS refinement

2008-08-25 Thread Chaudhry, Charu (NIH/NICHD) [F]
Hello, I have a question about comparing anisotropic displacement parameters for a series of 6 mutant and a wt structure with diffraction from 1.2-1.5 Å. The space group and unit cell for the series is the same, and most xtals were obtained by seeding from a hit for one mutant. There are two

Re: [ccp4bb] protein degradation

2008-08-25 Thread Christian Biertuempfel
Hi Debajyoti, There is another simple thing you can try: Raise your NaCl concentration to 500 or 1000 mM in your lysis buffer. This helps to clean up your sample further and it might inhibit proteases in your lysate. Good luck, christian Debajyoti Dutta wrote: Hi, This is going to be an

Re: [ccp4bb] CCP4i on MacPro under Leopard

2008-08-25 Thread William G. Scott
Under 10.5.X, sudo doesn't inherit the environment. So the best thing to do is start a root process like this: /bin/bash (or /bin/zsh or /bin/tcsh ) source /usr/local/ccp4-6.0.2/include/ccp4.setup-bash (or whatever it is for your shell) Then issue ccp4i William G. Scott Contact info: htt

[ccp4bb] comparing interfaces

2008-08-25 Thread Jayashankar
Dear Friends and scientists, I know An inhibitor(Say A) that acts as an anti destabilizing agent for a homotetrameric protein. that is the disturbance in the tetramer leads to aggregation of the protein ,this inhibitor A stabilizes this disturbancethis is one story. the other, recently we wer

[ccp4bb] Summary: Software for Drawing Protein Secondary Structure

2008-08-25 Thread Buz Barstow
Dear All, Thanks for your suggestions about software to map out the secondary structure of a protein onto a line. I've compiled all of the suggestions into one list: http://tardis.nibio.go.jp/joy/ http://www.biochem.ucl.ac.uk/~roman/procheck/manual/examples/plot_06.html http://webclu.bio.wzw

[ccp4bb] CCP4i on MacPro under Leopard

2008-08-25 Thread Anita Bentley
My faithful old Mac G5 siezed up and I have to use a brand new MacBook Pro from now on. It's an Intel machine with Leopard. I managed to install CCP4 together with TLK/BLK programmes. After a long while searching for bltwish routines I discovered that they are automatically installed in /us

Re: [ccp4bb] Wilson plot from truncated.mtz

2008-08-25 Thread George M. Sheldrick
Dear Ian and Phil, I am very reluctant to touch the experimental data, so I am a bit concerned about the argument that it is better to refine against than Imeas. Are you sure that the 'best estimate' of the intensity is also unbiassed? To take an extreme example, suppose that we have processed

Re: [ccp4bb] how to calculate the occupancy of two Mixed ligand binding modes at the single active site

2008-08-25 Thread George M. Sheldrick
SHELXL has been able to refine such occupancies (e.g. as p and 1-p for the two ligands, i.e. one extra parameter) for many years, and if I have understood correctly last week's version of phenix_refine can do so too. George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University o

[ccp4bb] how to calculate the occupancy of two Mixed ligand binding modes at the single active site

2008-08-25 Thread conancao
Dear all: In a 1.8A protein crystal structure,I find clear extra positive electron density suggesting 2 possible different orientations of the same ligand at a single active site.I identify those two orientations by mannually fitting 2 orientations and then refining them separately.

Re: [ccp4bb] Wilson plot from truncated.mtz

2008-08-25 Thread Phil Evans
You're right ^2 != It wouldn't be hard to get Truncate to output as well One reason why I've got rid of the Is in mtz files myself is just to save space (less important these days), particularly if I knew I wasn't going to use them. If we add then we have for each dataset F, Dano, F+,