[ccp4bb] fwd:

2012-04-21 Thread E rajakumar
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Re: [ccp4bb] refining beta peptides

2012-04-21 Thread Garib N Murshudov
If they are short then you can create links between amino acids and use them. Please have a look tutorials for jligand: http://www.ysbl.york.ac.uk/mxstat/JLigand/ You need only one link and declare it between peptides. I think buster, phenix and refmac use same type of dictionaries. All they may

[ccp4bb] Membrane protein purification with HIC

2012-04-21 Thread Theresa Hsu
Dear all Can membrane proteins purified with hydrophobic interaction chromatography (HIC) without destroying the protein or the resin? Any type of detergents to avoid? Thank you. Theresa

[ccp4bb] refining beta peptides

2012-04-21 Thread Richard Baxter
Dear All, Looking to refine a beta-peptide structure (<2 A resolution). Any advice on use of Refmac, Phenix, SHELX for this, are they in the dicionary? Thanks a lot. Richard -- Asst. Prof. in Chemistry = Yale University PO Box 208107 New Haven, CT 06520-8107 Tel: +1 203 432 9576 Fax: +1

Re: [ccp4bb] high temp factor in coot!

2012-04-21 Thread Bernhard Rupp
Don't worry. High B-factor just means that the probability of the atoms being at the specified coordinate position is low, for whatever reason. In most cases this is completely normal and often indicative of solvent exposed surface residues, and a look at the electron density will show whether th

[ccp4bb] high temp factor in coot!

2012-04-21 Thread Arka Chakraborty
Hi all, I have solved the structure of a decamer dna oligonucleotide. Analysis in CCP4 using baverage shows acceptable(<30) avg b factors for all the residues. However temperature factor variance analysis option in coot gives a figure of 150 for one of the residues with a huge red bar. I would lik

[ccp4bb] job vacancy at Proteros

2012-04-21 Thread Krapp, Stephan
Dear All, I would like to draw your attention to this job vacancy at Proteros: Research Scientist - Protein Crystallography (m/f) Please reply to the contact given below. Best regards, Stephan Proteros offers customized Leads employing a highly integrated structure guided Lead Generation P

Re: [ccp4bb] Off-topic: Supplying PDB file to reviewers

2012-04-21 Thread Sankaranarayanan Rajan
I agree completely with Ed and made a similar suggestion when this discussion came up last time i.e. the reviewer should reveal the identity if he wants coordinates. Even data (including raw data if need be) can be given in those cases. As reviewer has a reason to suspect and therefore want to ins