[ccp4bb] packing diagrammes

2009-08-26 Thread Anita Lewit-Bentley
Dear all, does anyone know of a programme that would allow the graphical representation of the packing of protein molecules in a crystal? Ideally one would like to represent the protein as an elipsoid (or similar relatively simple shape) corresponding to its volume, over a few unit cells

Re: [ccp4bb] packing diagrammes

2009-08-26 Thread AntonioLeung
Hi, Pymol may do this work, useAction--generate--symmetry mates -- Original -- From: Anita Lewit-Bentleyale...@pasteur.fr; Date: Wed, Aug 26, 2009 05:48 PM To: CCP4BBCCP4BB@JISCMAIL.AC.UK; Subject: [ccp4bb] packing diagrammes Dear all,

Re: [ccp4bb] packing diagrammes

2009-08-26 Thread Jack Tanner
The cns script neighbours.inp might be useful for this purpose. From: AntonioLeung leun...@live.cn Reply-To: AntonioLeung leun...@live.cn Date: Wed, 26 Aug 2009 21:46:26 +0800 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] packing diagrammes Hi, Pymol may do this work,

[ccp4bb] ACA Twinning Workshop talks now available

2009-08-26 Thread George M. Sheldrick
The PDF files of the talks from the workshop on macromolecular twinning at the 2009 ACA Meeting in Toronto may now be dowloaded free from the ACA web site: http://www.amercrystalassn.org George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4,

[ccp4bb] Arpwarp not recognised by latest version of ccp4

2009-08-26 Thread Sylvia Fanucchi
Hi Does anyone know how to configure ArpWARP manually so that it will be recognized by the latest version of ccp4? Best regards Sylvia Fanucchi Ph.D Protein Structure-Function Research Unit East Campus, Gate House Room 416 School of Molecular and Cell Biology University of the

[ccp4bb] suggestions for SIR with strong diffraction anisotropy in the derivative

2009-08-26 Thread Francis E Reyes
Hi all I'm trying SIR on my crystal both are C222. Native Cell Dimensions: 97.66 243.45 87.62 90 90 90 Resolution: 4.3 Derivative Cell Dimensions: 96.9100 244.66 87.61 90 90 90 Resolution: 4.7 . I plan to scale together using FHScal. Ctruncate says that my derivative has strong

[ccp4bb] MrBUMP

2009-08-26 Thread riya doreen
Hi everyone, I am trying to run MrBUMP through the CCP4 6.1.1 but the program is complaining that no multiple alignment programs like mafft, clustalw, clustalw2, probcons, or t_coffee were found on the system. Will I need to install all these programs and will they need to be in the CCP4

[ccp4bb] how to recreate missing import.def file

2009-08-26 Thread Beth A Wurzburg
Hi All, After transferring a lot of files from one computer to another, we discovered a problem when we launched ccp4i. The project database job list is empty even though all the .log files, etc. are clearly present. We checked the CCP4_DATABASE directory and discovered that the import.def

[ccp4bb] Active aggregates?

2009-08-26 Thread ose toyoyuki
Dear all, This is a question on how to cope with the protein that seems to form massive aggregates in solution but enzymatically active. I'm working on a protein whose molecular weight is around 70kDa and can be divided into two domains (say A and B domains). We expressed this protein in

Re: [ccp4bb] Active aggregates?

2009-08-26 Thread John Tanner
You could try adding detergents. We had a case a few years ago of an enzyme that was highly active but also highly aggregated. Addition of n-octyl beta-d-glucopyranoside significantly lowered the degree of aggregation such that crystals could be grown. Lowering the protein concentration also

Re: [ccp4bb] Active aggregates?

2009-08-26 Thread Artem Evdokimov
Dear Ose, This is unfortunately a fairly common issue. There are multiple ways to rationalize what's happening - and even more approaches to reducing the aggregation issues. It would take too long to list all the options here - however I would look at the earliest stages of your expression and

Re: [ccp4bb] suggestions for SIR with strong diffraction anisotropy in the derivative

2009-08-26 Thread Artem Evdokimov
Well, this is of course just my undereducated two cents but the first question I'd ask is: asuming that dataset #2 is a real derivative - can I find realistic sites? What are you basing your resolution cutoff on - in the diffraction images, do you visually observe anisotropy? It's not uncommon

Re: [ccp4bb] Active aggregates?

2009-08-26 Thread James Stroud
Just try crystallizing it. What is a crystal but a massive aggregate? That they are still soluble and active is great news. As a grad student, I had a similar phenomenon with an early project. I showed a gel in group meeting where both activity and aggregation were obvious, said the