Re: [ccp4bb] Same protein, different molecule numbers per ASU

2011-07-11 Thread Alexandre OURJOUMTSEV
Dear Ferrol, Could you let us know the unit cell parameters for both these crystals ? (did I miss them somewhere in your previous mails?). I wonder if in fact this is not the same packing with minor variation. Sacha De : CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] De la part de ferrol

Re: [ccp4bb] abnormal I/Sigma over phi rotation range

2011-07-11 Thread Tim Gruene
Dear Vennila, my guess is that you had a larger number of images in the batch/set starting at 180 degrees (hence the slightly incereased Rmerge for that batch) and that by the end of that run your crystal had suffered from radiation damage (hence the large Rmerge for the set starting at

[ccp4bb] Staff scientist position, Dep. Biochemistry at University of Bayreuth, Germany

2011-07-11 Thread Michael Weyand
Dear CCP4lers, We have a staff scientist position (permanent) to fill in the Department of Biochemistry at University of Bayreuth, Germany (German language skills required -- see below). Work in the Dept (Blankenfeldt group and Steegborn group) is focused on the functional and structural

[ccp4bb] Fwd: Could Biological Negative Results be published?

2011-07-11 Thread F.Xavier Gomis-Rüth
Dear CCP4ers, I think this is a very interesting initiative and it could potentially lead to a discussion within the board. Best, Xavier Mensaje original Asunto: Could Biological Negative Results be published? Fecha: Sun, 10 Jul 2011 21:39:52 -0500 De: David

Re: [ccp4bb] Same protein, different molecule numbers per ASU

2011-07-11 Thread ferrol shariff
Hi Alenxander, Thanks for the reply. Here's the details on the unit cell parameters [image: image.png] [image: image.png] [image: image.png] Thank you. :) Regards, Fairolniza On Mon, Jul 11, 2011 at 2:47 PM, Alexandre OURJOUMTSEV sa...@igbmc.frwrote: Dear Ferrol, ** ** Could you

Re: [ccp4bb] Fwd: Could Biological Negative Results be published?

2011-07-11 Thread Bosch, Juergen
http://www.jnrbm.com/ Might this be what you are looking for ? Jürgen .. Jürgen Bosch Johns Hopkins Bloomberg School of Public Health Department of Biochemistry Molecular Biology Johns Hopkins Malaria Research Institute 615 North Wolfe Street, W8708 Baltimore, MD 21205

Re: [ccp4bb] Fwd: Could Biological Negative Results be published?

2011-07-11 Thread Partha Chakrabarti
What if the negative results contradict some recent papers in big journals? Would the PI risk his / her contacts connections? Of course for the PhD student or postdoc, it matters a lot to get it 'published'.. On Mon, Jul 11, 2011 at 4:27 PM, Bosch, Juergen jubo...@jhsph.edu wrote:

Re: [ccp4bb] Fwd: Could Biological Negative Results be published?

2011-07-11 Thread Tim Gruene
On Mon, Jul 11, 2011 at 04:35:31PM +0530, Partha Chakrabarti wrote: What if the negative results contradict some recent papers in big journals? In that case it is certainly not a negative result and I am actually surprised someone even comes up with the idea of not publishing a result just for

Re: [ccp4bb] Fwd: Could Biological Negative Results be published?

2011-07-11 Thread Victor Bolanos-Garcia
Dear David In addition to what Partha and Tim have just said, what if the negative results are simply due to poor experimental skills and/or lack of attention to detail?. I guess my question is would a journal that publishes negative results be rapidly populated with junk data?. Kind

Re: [ccp4bb] Fwd: Could Biological Negative Results be published?

2011-07-11 Thread Tim Gruene
Not if they are properly peer-reviewed as the ones mentioned within this thread claim to be. The prevention of junk is IMHO the main reason agains an all-open system as in arxiv.org Tim On Mon, Jul 11, 2011 at 12:55:20PM +0100, Victor Bolanos-Garcia wrote: Dear David In addition to

Re: [ccp4bb] Fwd: Could Biological Negative Results be published?

2011-07-11 Thread Van Den Berg, Bert
Just a comment: positive results can also be due to poor experimental skills and/or lack of attention to detail etc. Peer review should take care of this, at least to some extent. Negative results can be very valuable. Bert From: CCP4 bulletin board

Re: [ccp4bb] Fwd: Could Biological Negative Results be published?

2011-07-11 Thread Bernhard Rupp
Hmmm...I probably have a bit of experience in this business of 'negative results'. Let me just say that it definitely has negative impact on your career when you criticize colleagues. It is extremely difficult to cut through the 'defendant's' and editorial denial. In my experience a lot of lip

[ccp4bb] Could Biological Negative Results be published?

2011-07-11 Thread Bryan Lepore
It would be important to recall the most famous null result : the Michelson-Morley experiment, published in The American Journal of Science, explained 18 years later.

Re: [ccp4bb] Same protein, different molecule numbers per ASU

2011-07-11 Thread Ed Pozharski
Fairolniza, my experience with multiple crystal forms growing from the same drop (I had 4 that I was able to identify, there could have been more) was that there were similarities in the way protein molecules packed into fibers that were subsequently arranged into distinct crystal forms. You may

Re: [ccp4bb] Fwd: Could Biological Negative Results be published?

2011-07-11 Thread Van Den Berg, Bert
Negative results are not necessarily criticisms of colleagues, at least I don't think it should be perceived as such. And if it is, folks should just grow up...:-) It may be (too) idealistic, but one could argue that the most important aspect of scientific experiments is reproducibility. If

[ccp4bb] Senior Scientist- X-Ray Crystallography Technology

2011-07-11 Thread Mitch Kocen
Important: Do *NOT* reply to this e-mail to apply for this position. Only applications processed through the apply link will be accepted. Any direct replies to this e-mail will be ignored. Passionate About Science We're passionate and rigorous about our science. For more than 30 years,

Re: [ccp4bb] Fwd: Could Biological Negative Results be published?

2011-07-11 Thread Phoebe Rice
This brings up a philosophical caveat that one should be very careful about labeling one set of potential results negative and another positive before even doing the experiment, because its all too easy to see what you hoped to see even if it was only marginally there. The best

[ccp4bb] Could Biological Negative Results be published?

2011-07-11 Thread D Bonsor
There are least two types of negative results 1) Contradiction of previously published results. Negative results of this kind is either they are wrong, you are wrong or it depends on the differences within the experimental methods used. An example of the latter case would be SPR vs ITC. SPR

[ccp4bb] Research associate position available in medicinal chemistry

2011-07-11 Thread Todd Geders
A RESEARCH ASSOCIATE POSITION is available beginning Aug 1, 2011 in the Department of Medicinal Chemistry, College of Pharmacy, University of Minnesota (Twin Cities Campus). Applicants must possess a Ph.D. in chemistry, biochemistry or biophysics, with 3+ years research experience in the

[ccp4bb] bioreactors and fermentors

2011-07-11 Thread joybeiyang
Dear all, We are planing to buy a bioreactor (fermentors) for insect and mammalian cell culture in our lab, current candidates include WAVE Bioreactor @ GE CelliGen BLU @ New Brunswick BIOSTAT CultiBag RM @ sartorius Our major concern is the size, maintenance easiness, and future

Re: [ccp4bb] peptide docking

2011-07-11 Thread crystal
Hi all, Thanks for all the helpful suggestions. It seems like Phenix LigandFit requires density for the ligand but unfortunately I only have the ligand-free model. I've tried blasting the peptide sequence using the sequence search tool in the PDB but failed to get any hits. I was wondering how

Re: [ccp4bb] Could Biological Negative Results be published?

2011-07-11 Thread Jacob Keller
Wasn't another famous negative result the refutation of the vital principle which presupposed that substances from living entities were inherently different from those from non-living? I guess the essential feature of an important negative result is the clearly-observed absence of something

[ccp4bb] summary: Home SAXS systems

2011-07-11 Thread Page, Rebecca
Thanks in advance to everyone to everyone who responded to my previous post about their experiences doing SAXS at home. Below is a summary of the responses. Best, Rebecca I am using NANOSTAR BRUKER for few years, and the sealed tube is out of order now and the intensity dropped significantly

[ccp4bb] can't creat new project directory in CCP4i

2011-07-11 Thread Huiying Li
A postdoc in the lab ran into problem creating new project directory in CCP4i GUI in his computer account. When he tried to add project the following error popped up: Can't read array 'CCP4_DATABASE How to fix this problem? Thanks for your help. Huiying Li, Ph. D Department

[ccp4bb] Off topic - Streptactin Column

2011-07-11 Thread D Bonsor
Does anyone know how many times roughly you can re-use a Streptactin column? I know that contamination with biotin will destroy the column but the protein that I am using has gone through both a GST and Nickel purification steps before seeing the Streptactin column and I think lately that I

Re: [ccp4bb] peptide docking

2011-07-11 Thread crystal
Hi Rex, The protein I'm working on has a defined substrate-binding cleft. I have a model for the apo form but not the substrate-bound complex. I'd like to dock a peptide fragment of its binding partner potentailly involved in the interaction (~8 residues ) to this cleft. My question is what are

Re: [ccp4bb] peptide docking

2011-07-11 Thread crystal
Hi Pius, Thanks for the tip. I've never used that utility in PyMol. It'll give it go! From the drop-down menu of the Builder tab, it seems like one could specify the secondary structure as well. Have you ever tried that option? Thanks. On Mon, Jul 11, 2011 at 12:43 PM, Pius Padayatti

Re: [ccp4bb] peptide docking

2011-07-11 Thread Bosch, Juergen
Here are some options: http://vina.scripps.edu/ http://rosettadock.graylab.jhu.edu/ Jürgen On Jul 11, 2011, at 8:24 PM, crystal wrote: Hi Pius, Thanks for the tip. I've never used that utility in PyMol. It'll give it go! From the drop-down menu of the Builder tab, it seems like one could

Re: [ccp4bb] peptide docking

2011-07-11 Thread Huiming Li
Hi, Try Autodock from Scripps. It worked beautifully for me. The docked peptide explained why initial attempts at crystalizing the peptide/protein complex failed (because of a crystal contact). The crystal structure subsequently confirmed the calculated structure. My peptide is a 6-mer.

Re: [ccp4bb] low resolution refinement

2011-07-11 Thread Pavel Afonine
Hi Quixu, I also used phenix.refine with the reference model ( I have high resolution model for one domain of the low resolution protein) and secondary structure restraints, but it seams the same. Any suggestion? BTW, is that simulator annealing not suitable for low resolution structure? I

Re: [ccp4bb] Off Topic: PDB validation server

2011-07-11 Thread James Stroud
On Jul 8, 2011, at 11:13 AM, Katherine Sippel wrote: I was shocked to discover that the file with only one questionable solvent in April now has 173 of them. One word: Diffusion. James