Re: [ccp4bb] energy minimization

2007-10-26 Thread Pavel Afonine
You can use PHENIX for this. Just type: phenix.geometry_minimization your_model.pdb To get it: http://www.phenix-online.org/ Pavel. On 10/26/2007 8:31 AM, Sara Elizabeth Cnudde wrote: Hi, I need to do energy minimization. Does ccp4 have anything for this or is there some other program that

Re: [ccp4bb] Cost-effective imaging systems: recommendations and opinions requested

2007-10-26 Thread Artem Evdokimov
Another option would be an Art Robbins imager - also a value-priced instrument. Artem _ From: Artem Evdokimov [mailto:[EMAIL PROTECTED] Sent: Friday, October 26, 2007 7:08 PM To: 'Page, Rebecca'; 'CCP4BB@JISCMAIL.AC.UK' Subject: RE: [ccp4bb] Cost-effective imaging systems: recomme

Re: [ccp4bb] Is phophorylation possible in E. coli expression system?

2007-10-26 Thread Artem Evdokimov
PTM is very much possible in E. coli - just not every kind of PTM. To my knowledge, serine, threonine, and tyrosine phosphorylation is not in the normal genetic arsenal of this organism unless you introduce appropriate kinases artificially (such as by means of expression of a foreign gene or via mo

Re: [ccp4bb] Is phophorylation possible in E. coli expression system?

2007-10-26 Thread Chun Luo
Many kinases phosphorylate themselves when expressed in E. coli. You probably get more phosphorylation in E. coli than you express the same protein in insect cells or mammalian cells. However, if your protein is not a protein tyrosine kinase, you may check your western condition. My experience is

Re: [ccp4bb] Cost-effective imaging systems: recommendations and opinions requested

2007-10-26 Thread Artem Evdokimov
Cannot beat the price of a TriTek imager - CrystalPro. For the price this is probably the optimum product. Artem Note - I am not associated with TriTek and in fact our lab uses Formulatrix imagers, but these are much more expensive. _ From: CCP4 bulletin board [mailto:[EM

[ccp4bb] Is phophorylation possible in E. coli expression system?

2007-10-26 Thread Narayanan Ramasubbu
Dear All: This is not crystallography related and does not belong to this group, but I would like to pose this to all who are working with proteins expressed in an E. coli BL21 (DE3) or Rosetta. Is it possible for a protein to be phosphorylated during expression? At least my understanding was t

[ccp4bb] Cost-effective imaging systems: recommendations and opinions requested

2007-10-26 Thread Page, Rebecca
Dear CCP4 community, I know this question has been posted before, but imaging systems are updated so often that I'd like to post it again. I am considering purchasing a crystal imaging system. I am looking for a system that is 1) cost-effective 2) straightforward to use 3) suitable fo

[ccp4bb] phaser and rotation function solutions

2007-10-26 Thread Jan Abendroth
Hi all, in a rather weak molecular replacement the rotation solution that eventually produces a decent translation search (Z>9 with a couple of clashes) is way down in the list of rotation function peaks. Sometimes this solution is included in the translation function, in similar runs it is not. S

[ccp4bb] energy minimization

2007-10-26 Thread Sara Elizabeth Cnudde
Hi, I need to do energy minimization. Does ccp4 have anything for this or is there some other program that I can use? Thanks.

[ccp4bb] 2 postdoc positions at AstraZeneca

2007-10-26 Thread Pauptit, Richard A
At AstraZeneca we have two wet-lab postdoc positions available, 1 year each, ideally before the end of 2007. The positions are in our Protein Engineering section (preparing protein for structural studies) at Alderely Park, Cheshire UK. To apply, search under reference DECS057 at www.careers.ast

[ccp4bb] Open Positions at Karolinska Institutet, Stockholm

2007-10-26 Thread Johan Weigelt
This is to announce that the Structural Genomics Consortium laboratory at Karolinska Institutet currently have the following open positions: - 2 Team Leaders Structural Biochemistry (PhD) - Scientist Biophysical Characterisation/Assay Development (PhD) - Post-doctoral fellowships, Structural Bi

[ccp4bb] Electron density function for ligands in real space?

2007-10-26 Thread Qing Zhang
Hello, I'm new in x-ray crystallography and trying to compute real-space electron density for ligands. The goal is to evaluate match of ligands with density peaks (like computing local R values in real space). What would be the best electron density function that considers ligand atomic numbe