[ccp4bb] Capping peptide

2012-06-21 Thread Chris BROWN (P53LAB)
Hi all I m just finishing the refinement of several peptide:protein complex structures and have become unstuck at modifying the N and C terminal ends (of the synthetic peptides) with the generic acetyl and amide capping groups respectively. Could some one please explain to me the most straight

[ccp4bb] FW: [PyMOL] Structural biologist job

2012-06-21 Thread Bernhard Rupp (Hofkristallrat a.D.)
FYI for the on-pymol readers. BR -Original Message- From: H. Adam Steinberg [mailto:a...@steinbergs.us] Sent: Tuesday, June 12, 2012 4:22 AM To: pymol-us...@lists.sourceforge.net Subject: [PyMOL] Structural biologist job Hi all, A friend of mine is looking to hire a structural biologist

Re: [ccp4bb] help regarding structure solution

2012-06-21 Thread Valerie Pye
Hi Sonali, You could try wide-search MR: https://portal.sbgrid.org/d/apps/wsmr/ Best of luck, val On 20 June 2012 19:13, sonali dhindwal wrote: > Dear All, > > I am working on a protein for last so many years and for which i have got > crystal now in a tray which i kept 1 years ago. It diffra

Re: [ccp4bb] Building coot "from scratch"

2012-06-21 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hello Andre, what you see is not an error message, it is only a warning message. It is actually the last message before the remaining output is redirected to into the ${LOGS} directory. Paul set up a wrapper "wrap-build-it" for me: #!/bin/bash OS=$(u

[ccp4bb] calculate buried area between antibody and antigen

2012-06-21 Thread Yamei Yu
Hi all, Is there an easy way to calculate the buried areas between antibody and antigen for all these complexes in PDB database? Or is there a good reference have such number? I found an old reference (published in 1990) reported this number but as more an more structures deposited into the PDB d

[ccp4bb] Building coot "from scratch"

2012-06-21 Thread Andre Godoy
Dear All I'm trying "build_from_scratch" my coot and it doesn't work... the following error appears, and I really don't know how to fix it: Connecting to www.ysbl.york.ac.uk|144.32.72.243|:80... connected. HTTP request sent, awaiting response... 200 OK Length: 7039 (6.9K) [text/plain] Saving to

Re: [ccp4bb] Expressed protein hinders cell lysis?

2012-06-21 Thread Roger Rowlett
I'm not convinced you are not getting lysis but if you want to try something different use a BeadBeater. They are gentle and very efficient. Roger Rowlett On Jun 21, 2012 8:54 AM, "J. Valencia S." wrote: > Greetings, everyone. We need to ask your advice on an issue with one of > our proteins exp

[ccp4bb] Practical Membrane Protein Course in Brazil

2012-06-21 Thread Dr. Isabel De Moraes
Dear All, The Laboratório Nacional de Biociências (Campinas-Brazil) and The Membrane Protein Laboratory (MPL) at Diamond Light Source are organising a Practical course in Structure and Function of Membrane Proteins. The goal of the course is to introduce PhD students and post-docs to the basic

[ccp4bb] Software and servers in Uppsala

2012-06-21 Thread Gerard DVD Kleywegt
Hi all, In the past couple of years, Mark Harris in Uppsala has developed a bunch of programs and servers that are useful for crystallographers, structural biologists and structural bioinformaticians. Some of his programs are listed here: http://xray.bmc.uu.se/markh/programs.html M

Re: [ccp4bb] Expressed protein hinders cell lysis?

2012-06-21 Thread Bosch, Juergen
can you specify what your cell cracker is. Thanks, Jürgen On Jun 21, 2012, at 9:50 AM, Kelly Daughtry wrote: If it is inclusion bodies, I generally see a milky solution after lysis. Have you centrifuged post-lysis and then run an SDS-PAGE? Kelly

Re: [ccp4bb] Detergent and protein oligomerization

2012-06-21 Thread Jacob Keller
There is something even better than SEC-MALS--solving the structure! JPK On Thu, Jun 21, 2012 at 11:16 AM, wrote: > Dear Raji, > > The best way to find out is to run a SEC-MALLS (Size Exclusion > Chomatography - Multi-Angle Laser Light Scattering) experiment. > > Best, > Isabel > > > -

Re: [ccp4bb] Detergent and protein oligomerization

2012-06-21 Thread Dr. Isabel De Moraes
Dear Raji, The best way to find out is to run a SEC-MALLS (Size Exclusion Chomatography - Multi-Angle Laser Light Scattering) experiment. Best, Isabel - Dr. Isabel De Moraes, MRSC Membrane Protein Laborato

Re: [ccp4bb] Detergent and protein oligomerization

2012-06-21 Thread Jacob Keller
First of all, isn't the choice either dimer or trimer, and second, as a protein-detergent complex (PDC), it would be very unlikely that a trimer of 99 kD would run at 100 kD, although all is fair in love, war, and membrane proteins. JPK On Thu, Jun 21, 2012 at 10:50 AM, Raji Edayathumangalam wrot

[ccp4bb] CCP-BioSim workshop on QM/MM methods for modelling enzyme-catalysed reactions

2012-06-21 Thread martyn . winn
CCP-BioSim workshop on QM/MM methods for modelling enzyme-catalysed reactions School of Chemistry, University of Bristol, UK Tuesday July 17th 2012 This practical workshop will introduce combined quantum mechanics/molecular mechanics (QM/MM) methods and their application to modelling enzyme-catal

[ccp4bb] Detergent and protein oligomerization

2012-06-21 Thread Raji Edayathumangalam
Hi Everyone, Sorry for the non-CCP4 post. I have a very basic question about detergents, critical micelle concentration and behavior on gel filtration. A 33kDa membrane protein was purified by gel filtration in a buffer containing 0.4%(w/v) beta-NG (CMC: 6.5mM) and 0.046%(w/v)LDAO (CMC: 0.14mM).

Re: [ccp4bb] Expressed protein hinders cell lysis?

2012-06-21 Thread Kelly Daughtry
If it is inclusion bodies, I generally see a milky solution after lysis. Have you centrifuged post-lysis and then run an SDS-PAGE? Kelly *** Kelly Daughtry, Ph.D. Post-Doctoral Fellow, Raetz Lab Biochemistry Department Duke University Alex H. San

Re: [ccp4bb] Expressed protein hinders cell lysis?

2012-06-21 Thread RHYS GRINTER
Hi, I often see no real change in change in solution appearance after sonication mediated lysis, with proteins which yield low amounts or no soluble protein in E. coli. I've had a look at the solution post lysis under the microscope and the cells are infact lysed, it's just the presence of high

Re: [ccp4bb] help regarding structure solution

2012-06-21 Thread Clemens Vonrhein
Hi, My favourite first-stop tool: use your cell parameters at http://www.rcsb.org/pdb/search/advSearch.do and search for similar Cell Dimensions and Space Group. Or use ftp://ftp.wwpdb.org/pub/pdb/derived_data/index/crystal.idx and a short awk script to list similar PDB entries (it's what

[ccp4bb] Expressed protein hinders cell lysis?

2012-06-21 Thread J. Valencia S.
Greetings, everyone. We need to ask your advice on an issue with one of our proteins expressed in E. coli Rosetta cells. This yeast-derived protein has a very low yield compared to others we work with, and we think it is because the cells are hard to lyse: even after 3 cycles in a cell cracker the

Re: [ccp4bb] help regarding structure solution

2012-06-21 Thread sonali dhindwal
Dear Raaij, We have not done mass-spec on the band from SDS-PAGE to confirm if it is our desired protein or any other contaminant. So, cant say for sure. Regards -- Sonali Dhindwal “Live as if you were to die tomorrow. Learn as if you were to live forever.” --- On Thu, 21/6/12, Mark J van Raa

[ccp4bb] INVITATION: Murnau Conference 2012 on Structural Biology of Molecular Transport

2012-06-21 Thread Christine Bentz
Dear colleagues, this is to remind you that the Murnau Conference 2012 on Structural Biology of Molecular Transport will be taking place from 17-20 October. Online registration is NOW OPEN on a first come-first served basis (http://www.murnauconference.de/2012/registration.html). We would be d

Re: [ccp4bb] estimate of effective concentration

2012-06-21 Thread Savvas Savvides
Dear Filip, I believe that you may find interesting methods, insights and principles to get you going in the following paper: Wu et al. Transforming binding affinities from three dimensions to two with application to cadherin clustering. Nature. 2011 Jul 27;475(7357):510-3 doi: 10.1038/nature10

[ccp4bb] Postdoctoral Position in synthesis of glucopyranonucleosides

2012-06-21 Thread Demetres D. Leonidas
Dear all, please follow the link http://www.hecra.gr/vacancies/21_6.pdf for a posdoctoral position in Organic Synthesis at the Department of Biochemistry and Biotechnology, University of Thessaly. Demetres -- --- Dr. Demetres D. Leonidas Associat