Re: [ccp4bb] Error with molrep when using locked srf.

2009-04-01 Thread Alexei Vagin
this bug was introduced in November 2008 and fixed in February 2009 please use latest version from my home page http://www.ysbl.york.ac.uk/~alexei/ Alexei On 31 Mar 2009, at 20:10, Francis E Reyes wrote: Why do i keep getting an error when running molrep with locked rotation functions?

Re: [ccp4bb] Building structure in COOT

2009-04-01 Thread Paul Emsley
David Cobessi wrote: Liew Chong Wai wrote: Hi, Good day I am currently building my structure by using COOT. My protein is a tetramer protein and I have fit my protein sequence into one of the monomer of the homologous model. May I know how can I replace other monomer with the amended

[ccp4bb] [ANNOUNCE] Journal of Failed Crystallization Experiments

2009-04-01 Thread Sehl Oediter
Dear Crystallography Community: I am happy to announce the Journal of Failed Crystallization Experiments, a bimonthly publication that highlights the exciting field of failed crystallography projects and trials. As you are all well aware, most scientific journals have been publishing crystal

Re: [ccp4bb] [ANNOUNCE] Journal of Failed Crystallization Experiments

2009-04-01 Thread Rajesh Ponnusamy
Ha ha ha Good Try..Better luck next time !!!... Mr. Sehl Oediter !!! Sehl Oediter wrote: Dear Crystallography Community: I am happy to announce the Journal of Failed Crystallization Experiments, a bimonthly publication that highlights the exciting field of failed crystallography

Re: [ccp4bb] [ANNOUNCE] Journal of Failed Crystallization Experiments

2009-04-01 Thread Adam Ralph
What's the date today? It must be Christmas I have lots of stuff to publish. A

Re: [ccp4bb] New human genome policy - please read.

2009-04-01 Thread jane . wibley
April Fools Day? I hope so!! -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Frank von Delft Sent: 01 April 2009 11:16 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] New human genome policy - please read. H... just saw this. !!!?!??!

Re: [ccp4bb] New human genome policy - please read.

2009-04-01 Thread James Stroud
I think actually *naming* the proteins would be too extreme. Even the current alpha-numeric system is overwrought. I liked it better when we just called proteins p75 or p105. For instance, how many proteins in the human genome are 75 kD, anyway? My guess is not enough to make the situation

Re: [ccp4bb] New human genome policy - please read.

2009-04-01 Thread Kevin Cowtan
Why molecular weight? That's just arbitrary. There is a simple way of referring to proteins which avoids any ambiguity - by it's sequence. When referring to a protein, we should use its sequence as an identifier. No ambiguity. Now, I understand that some smart people in America are now

Re: [ccp4bb] Choosing weighing term

2009-04-01 Thread Anastassis Perrakis
On Apr 1, 2009, at 7:12, conancao wrote: Dear All: Hi. I have a question about selecting weighing term during restrained refinement using Refmac5 of CCP4 packages. For a 300kDa homodimer protein structure at 2.5A, 91% complete. I obtain optimal R and Rfree by using NCS

Re: [ccp4bb] [ANNOUNCE] Journal of Failed Crystallization Experiments

2009-04-01 Thread Boaz Shaanan
Dear Sehl Oediter, I am not sure this is the right forum but I cannot resist. While I welcome the announcement of this new and important journal, as I'm sure all other members of the community do, I'd like to urge you reconsider  for publication the paper which I submitted to your journal this

Re: [ccp4bb] [ANNOUNCE] Journal of Failed Crystallization Experiments

2009-04-01 Thread junfeng liu
What is the impact factor for that? 100 or 1000? leo ar...@xtals.org wrote: Hey, This is *the* place to report my experiments with Uranium (IV) Astatide (UAt4) and Radon for phasing! Artem Dear Crystallography Community: ... good stuff ... Sehl Oediter Chief Guy in Charge

Re: [ccp4bb] Choosing weighing term

2009-04-01 Thread Ian Tickle
Hi Hongnan The standard criterion for choosing the optimum weight(s) is to choose the value(s) that minimise Rfree at convergence of the refinement, i.e. at the local or global maximum of the likelihood function. Axel Brunger and his group have published a lot of nice work in this area.

Re: [ccp4bb] New human genome policy - please read.

2009-04-01 Thread artem
In a powerful counter-proposal I recommend that human genes be named after actual people. I think many of us have heard of the star catalogue - for fifty bucks you can have a star named after you (not sure if they still do this). So, the same deal applies - only a bit more expensive because

Re: [ccp4bb] [ANNOUNCE] Journal of Failed Crystallization Experiments

2009-04-01 Thread artem
The impact factor of UAt4 has recently been upgraded from 'huge' to 'all over the place' after the unfortunate accident at the Miscatonic university labs which left half the building as glowing multi-colored glass puddle. Artem What is the impact factor for that? 100 or 1000? leo

[ccp4bb] Eleven plausible phasing elements remain unused

2009-04-01 Thread Thomas Womack
A perusal of the PDB reveals that the game of Periodic Table bingo still has eleven rounds to run: scandium, titanium, germanium, zirconium, niobium, neodymium, dysprosium, thulium, hafnium, bismuth and thorium remain absent from PDB entries. OK, many of these are elements that would rather be

[ccp4bb] MedImmune - Summer Intern CCP4

2009-04-01 Thread Heather Farrar
Title: Intern - CCP4 Location: Gaithersburg, MD Req: 01497 Position Summary: Perform testing, data analysis, and computer based structural modeling in a biophysical characterization group. Correlate model predictions to data collected by analytical ultracentrifugation, light scattering, and

[ccp4bb] ECM25 in Istanbul - August 16-20 - New Abstract Deadline - April 3

2009-04-01 Thread Wolf-Dieter Schubert
Dear Colleague, in case you haven't yet submitted an abstract for the European Crystallography Meeting (ECM25) scheduled for August 16 (Sunday) to August 20 (Thursday) in Istanbul, Turkey, you can still do so until this Friday, April 3, 2009. The link to the conference site is:

Re: [ccp4bb] Eleven plausible phasing elements remain unused

2009-04-01 Thread Mischa Machius
Huber's empire in Martinsried had a cabinet with ~500 compounds, many of them synthesized by himself (occasionally blowing up a lab in the process...) that in fact contained thorium, hafnium, etc. compounds. Radioactive compounds were kept in a little lead box. I am not aware of any

[ccp4bb] NCBHT: severe warning

2009-04-01 Thread Marius Schmidt
SEVERE BLACK HOLE WARNING *** The National Center for Black Hole Tracking (NCBHT) is issuing a black hole warning. During the night shift from March 31st to April 1st, a black hole formed in the Atlas Detector at the Large Hadron Collider, Cern/Geneva, Switzerland, although

Re: [ccp4bb] New human genome policy - please read.

2009-04-01 Thread Warren DeLano
You know Kevin, April fools notwithstanding, you idea actually makes good sense in a tiny-url sort of way. There would of course be collisions, and thus, need for a global disambiguation registry, but society could do a whole lot worse than something like: http://prot.seq.db/3fc28e91d74b39ec/a6

[ccp4bb]

2009-04-01 Thread KUMARASWAMI MUTHIAH
Anybody tried to cocrystallize the protein-progesterone or estrogen complexes, if so how do you go about the solubility of these compounds? Progesterone is only soluble in 50% chloroform or 100% DMSO and the dilution of this stock is not possible as chloroform falls out of solution. Lots of

[ccp4bb]

2009-04-01 Thread Kornelius Zeth
Unless you want a ligand free molecule it might be a good idea to add the substance already to the growing Ecoli (?) culture. That has proven to be successful for such molecules. Best wishes Kornelius On Wed, 1 Apr 2009 16:59:05 + KUMARASWAMI MUTHIAH megun...@hotmail.com wrote:

Re: [ccp4bb] protein-progesterone or estrogen complexes

2009-04-01 Thread Kendall Nettles
Are you talking about the respective ligand with progesterone or estrogen receptor ligand binding domains? That has been done many times. Larger pieces of the receptor have proven more difficult. Adding 10uM compound in the fermentation media is the traditional route, because a significant

Re: [ccp4bb] Eleven plausible phasing elements remain unused

2009-04-01 Thread James Holton
Just because it is not in the PDB does not mean that noone has ever tried it. I think I can attest to seeing pretty much all the Lanthanides tried at my beamline. Indeed, Hampton sells a Lanthanide kit, and I recommend using it as every Lanthanide has a slightly different ionic radius. For

Re: [ccp4bb] Lowest resolution you can do MR with

2009-04-01 Thread Christian Biertuempfel
Hi, I cannot really answer what the lowest resolution for MR is but I have been successful with 4 A data for a protein-DNA complex and so I encourage you to try your 3.6 A data set. Of course, it also depends on the quality of your data, in particular how well/how many low resolution reflections

[ccp4bb] curvature of a helix

2009-04-01 Thread peter hudson
Hello all I would like to calculate the curvature of a curved helix. Is any method or program exists, which can calculate the cuvature of a curved helix? I would appreciate the suggestions. Thanks in advance

[ccp4bb] Fix for MIFit8 compatibility issue with CCP4 6.1.1

2009-04-01 Thread John Badger
The automated cocrystal solution pipeline and refinement applications in MIFit8 ( http://code.google.com/p/mifit/ ) employs arp_waters for water- picking and some automated error detection. However, arp_waters is deprecated in CCP4 6.1.1. For now, one solution (Linux or Windows) is simply to

Re: [ccp4bb] Fix for MIFit8 compatibility issue with CCP4 6.1.1

2009-04-01 Thread Donnie Berkholz
On 21:12 Wed 01 Apr , John Badger wrote: We are examining alternatives for water-picking that workable in the context of automated refinement and are not aware of any other incompatibilities at this time. No doubt you're already aware of findwaters, which comes with coot and looks like

Re: [ccp4bb] NCBHT: severe warning

2009-04-01 Thread Marius Schmidt
Interesting, isn't it? :-), nice person. F*** Off.. it might be 1st April but most people are not interested about your shit sense of humour.. send them to your friends.. MRC National Institute for Medical Research Division of Molecular Structure The Ridgeway, NW7 1AA, UK Email:

Re: [ccp4bb] NCBHT: severe warning

2009-04-01 Thread Phil Jeffrey
Posting private emails on a public email list is rarely considered good form, in fact on some email lists it would get you thrown off fairly quickly, especially considering your intended purpose. (Who is the list admin here ?) If you're going to post semi-humorous way off-topic posts, you

Re: [ccp4bb] NCBHT: severe warning

2009-04-01 Thread Michael Matho
Sorry 'bout that. I don't know if this one is black, but it's definitely an A-hole... LOL Cheers, Michael - Original Message - From: Marius Schmidt marius.schm...@ph.tum.de To: CCP4BB@jiscmail.ac.uk Sent: Wednesday, April 01, 2009 1:48 PM Subject: Re: [ccp4bb] NCBHT: severe warning

Re: [ccp4bb] Eleven plausible phasing elements remain unused

2009-04-01 Thread Ethan Merritt
On Wednesday 01 April 2009 07:21:16 Thomas Womack wrote: A perusal of the PDB reveals that the game of Periodic Table bingo still has eleven rounds to run: scandium, titanium, germanium, zirconium, niobium, neodymium, dysprosium, thulium, hafnium, bismuth and thorium remain absent from PDB

[ccp4bb] GLRF and interpreting self rotation functions...

2009-04-01 Thread Francis E Reyes
I am experimenting with GLRF and am having trouble calculating the locked self rotation function for a protein of known structure. The protein has a 3 fold NCS axis that is not parallel to a crystallographic axis. I'm at the step of specifying the local symmetry elements for the locked

[ccp4bb] Acrylamide in RNA crystallization

2009-04-01 Thread vanessa delfosse
Dear all, I'm currently trying to crystallize a 70 nt RNA and I would like to know if the presence of acrylamide, some traces from the purification step, may interfere with crystallization of nucleic acids ? Thanks in advance, Vanessa. -- Vanessa Delfosse - PhD

Re: [ccp4bb] Acrylamide in RNA crystallization

2009-04-01 Thread Francis E Reyes
Are you talking about chunks of acrylamide? Or perhaps trace molecules? As for chunks, we normally pass it through a 0.2 um filter before setting up trays. FR On Apr 1, 2009, at 4:48 PM, vanessa delfosse wrote: Dear all, I'm currently trying to crystallize a 70 nt RNA and I would like

[ccp4bb] Glycerol for crystal screens

2009-04-01 Thread Matthew Alan Bratkowski
Hi. I am trying to optimize a commercial crystallization condition that contains glycerol. So far, I have not been able to even reproduce the results from the initial screen, and I thought that this may be due to poor quality glycerol (among other possibilities). I believe that the glycerol

[ccp4bb] RIP SGI

2009-04-01 Thread William G. Scott
Sadly, it is no joke: Silicon Graphics timeline - San Jose Mercury News: http://www.mercurynews.com/businessheadlines/ci_12049125

Re: [ccp4bb] Acrylamide in RNA crystallization

2009-04-01 Thread Pascal Egea
Hi Vanessa It is better to get rid of traces of residual acrylamide that may contaminate your final purified and refolded RNA. It is usual to have contaminations with monomeric acrylamide. NMR spectroscopists studying RNA can usually detect its presence on their spectra. If you can dialyze your