Re: [ccp4bb] suitabel buffer condition for protein

2009-05-11 Thread Mark J. van Raaij
Dear Atul, for crystallisation, I would say the most suitable buffer is water. If your protein concentrates well in pure water, why add anything else? Of course, many proteins will not concentrate well in pure water, so start adding buffer components until your protein is happy: - buffer (HEPE

Re: [ccp4bb] phasing with se-met at low resolution

2009-05-11 Thread J. Preben Morth
Dear Engin I would also like to comment. I our recent structure determination of the sodium pump (3.5 A) (see morth JP et al 2007) we did not have experimental phasing to more than 6 A for the Ta6Br12 clusters and 7 A for the Pt sites. Both with extensive multicrystal averaging and phase

[ccp4bb] System virtual machine recommendation for crystallography?

2009-05-11 Thread Andy Torelli
Hello everyone, I would like to install a system virtual machine to run Ubuntu Linux as a guest OS on a 32-bit Vista laptop. The idea is to allow occasional use of crystallographic refinement programs while I'm away from lab. The laptop has an Intel Core 2 duo processor (2.0 GHz) and 3 GB RA

Re: [ccp4bb] Manipulating electron density

2009-05-11 Thread Phoebe Rice
You're right; my apologies to the original question-poster. I think a better way to do it would be with a mask that covers the entire molecule of interest, rather than an atom-by-atom carving job. Phoebe Original message >Date: Sun, 10 May 2009 20:29:00 -0700 >From: James Stroud >

Re: [ccp4bb] phasing with se-met at low resolution

2009-05-11 Thread Clemens Vonrhein
On Sun, May 10, 2009 at 08:24:34PM -0700, Engin Ozkan wrote: > The question is what would happen if your crystals diffract to 4 A, > and anomalous signal dies at 6 A. The interesting bit of course is 1 > Met per 200 residue, which should put to death the "1 in 50" or "1 > in 100" Methionine myths:

Re: [ccp4bb] Manipulating electron density

2009-05-11 Thread Carlos Huerta
Hi, I was not implying to cut-out the bad pieces and apologize if it appeared as such. In my short time in crystallography the lowest resolution I have worked with is 1.95 A. This was only an example to help-out, and appeared to be the best and complete answer to the question. Jason, I goofed i

Re: [ccp4bb] System virtual machine recommendation for crystallography?

2009-05-11 Thread Roger Rowlett
I'm using VirtualBox 2.2.2 to run a Ubuntu 9.04 on WinXP (32 bit) as a testbed for migrating my lab servers/workstations from Fedora 8. It runs surprisingly well with 512 Mbyte of assigned memory and 64 Mbyte of assigned graphics memory. I have even used it to test Wine to run some Win-only cry

Re: [ccp4bb] Manipulating electron density

2009-05-11 Thread Paul Emsley
Jason Porta 05/09/09 3:19 PM >>> Hi everybody, Sorry if this message was already asked (I could not find it in the archives). I am making a figure of a recently solved protein structure including the electron density. I would like the electron density to cover only the protein, and

[ccp4bb] 2nd Announcement:Fragment screening library for protein crystallography

2009-05-11 Thread John Badger
Many people responded with questions following our first announcement of a ready-to-use small fragment screening library designed for protein crystallographic screening. Given suitable crystals, the methodology is of interest to anyone wishing to probe ligand binding interactions and motifs in

Re: [ccp4bb] phasing with se-met at low resolution

2009-05-11 Thread Pete Meyer
If experience from intrinsic zinc is ok, I'll add my two cents. > trying). I would be happy to hear about Se-Met cases, and data > collection strategies (2wl vs. 3wl MAD vs. SAD, etc.) and phasing > methods used in these cases, or references of them. Again, no other Bert already mentioned collect

[ccp4bb] CCP4 updates and the problem pages

2009-05-11 Thread Ben Eisenbraun
If I download and apply a patch; e.g.: ftp://ftp.ccp4.ac.uk/ccp4/6.1.1/updates/ccp4-6.1.1-linux-i386-patch-04_03_09.tar.gz Can I assume that all the problems listed on the problem pages prior to April 3, 2009 will be in that patch? Or do I still need to go through the problem pages and update t

Re: [ccp4bb] CCP4 updates and the problem pages

2009-05-11 Thread William Scott
I just did the same today. Those that are missing from the 4-03 patch (at least the src version) included: scala.f version.fh refmac5.tcl scalepack2mtz.com dtrek2mtz.com pname2.com import_scaled.script also there was a tcl++ fix William G. Scott Contact info: http://chemistry.ucsc.edu/~wg