Re: [ccp4bb] phaser: high z score but no sol

2012-04-20 Thread Herman . Schreuder
Hi Lisa, Why are you so sure there are 4 molecules in the ASU? There may only be 3 and forcing a fourth molecule is causing lots of clashes. In a similar case, I have seen phaser put two molecules right on top of each other when I forced it to search for too many molecules. In your case I

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

2012-04-20 Thread Herman . Schreuder
(my last spam) This is very true. Compared to biomedicine, protein crystallographers are holy saints: Of 50 landmark papers in oncology, people from Amgen could only reproduce 6 (11%) and in a similar study, people at Bayer could only reproduce 14 out of 67 (21%) studies. Even more troubling,

[ccp4bb] three letter codes for buffer components

2012-04-20 Thread Ruth Brenk
Hi, does anybody know if there is a published list (or does anybody have a list and is willing to share) with PDB three letter codes for typical buffer components that show up in crystal structures? Cheers Ruth -- Dr. Ruth Brenk Biological Chemistry and Drug Discovery College of Life Sciences

Re: [ccp4bb] Molecular replacement

2012-04-20 Thread Eleanor Dodson
Thank you very much! Eleanor On 19 April 2012 19:43, Bret Wallace bretw...@gmail.com wrote: I noticed this missing when I first installed v. 6.2 as well. They noted this in the problems page. You just need to replace the phaser_MR.tcl file with the updated version in the updates page. I

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

2012-04-20 Thread Patrick Shaw Stewart
When I hear of a reviewer holding up a publication and then publishing something similar, my first reaction is fury and I feel the case should be investigated and this immoral individual should be exposed. However I can see that there are many shades of gray here. We're all biased in that we

[ccp4bb] PhD position - Institut de Biologie Structurale (Grenoble)

2012-04-20 Thread David Cobessi
A PhD position funded by a grant is available in the Synchrotron Group headed by Dr Jean-Luc Ferrer at Institut de Biologie Structurale (IBS http://www.ibs.fr/spip.php?lang=en) at Grenoble, starting in October 2012. The project will focus on the structural and biochemical characterizations of

[ccp4bb] new XDS version

2012-04-20 Thread Kay Diederichs
Dear XDS users, for about 3 weeks a new (non-commercial) version has been available from http://homes.mpimf-heidelberg.mpg.de/~kabsch/xds/ . It incorporates improvements, bug fixes, and new features. If there are any problems/regressions with a new XDS version, let me (or Wolfgang Kabsch)

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

2012-04-20 Thread Manoj Tiwari
Just a thought: When a reviewer asks for the model/data, 1) The reviewer should be given at most 24-48 hours of time to give comments after receiving the data. 2) (S)he should declare to the editor that the paper is going to be accepted if everything with the data/model is okay. The reviewer

Re: [ccp4bb] Off-topic: Site-directed mutagenesis

2012-04-20 Thread Roger Rowlett
Theresa, For point mutations, we currently use MEGAWHOP, which is a megaprimer-based whole plasmid PCR method. It has the advantage of using single mutant primers of modest length (21-24 nt) in combination with existing flanking primers for the target gene (either the 5' or 3' flanking

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

2012-04-20 Thread Ed Pozharski
It seems that this discussion has somehow reached the conclusion that if a reviewer asks for model/data, there absolutely must be an ulterior motive to cheat you out of your high profile publication. On the other hand, it seems like the intent of such reviewer is also misunderstood as if the only

Re: [ccp4bb] phaser: high z score but no sol

2012-04-20 Thread Bosch, Juergen
Would the self rotation map make sense with 4 molecules ? Jürgen Sent from my iPad On Apr 20, 2012, at 2:55, herman.schreu...@sanofi.commailto:herman.schreu...@sanofi.com herman.schreu...@sanofi.commailto:herman.schreu...@sanofi.com wrote: Hi Lisa, Why are you so sure there are 4 molecules

Re: [ccp4bb] phaser: high z score but no sol

2012-04-20 Thread Francis E Reyes
P21.. You sure about this space group? (very high confidences for space group and laue group in pointless?) F On Apr 19, 2012, at 12:20 AM, LISA wrote: Hi all, I am trying to solve one structure by molecular replacement with phaser in CCP4. This a complex of a multi-domain domains