Re: [ccp4bb] deposited SF (or not)?

2011-01-10 Thread Pedro M. Matias
At 00:15 10-01-2011, Bernhard Rupp (Hofkristallrat a.D.) wrote: Yes, exactly. 2002 papers, the question is how to 1) assure consistent deposition verification 2) how to fix omissions in earlier entries Best, BR PS: How did the EO confirm deposition - just ask you or the PDB, or some more

Re: [ccp4bb] deposited SF (or not)?

2011-01-10 Thread Bernhard Rupp (Hofkristallrat a.D.)
As I said, those omissions of promised deposition are probably just bookkeeping errors, but nevertheless, a promise is a promise. The other ones I agree are probably unrecoverable. I know I lost an early SF set completely and was really pleased when the PDB actively solicited SFs, because now I

Re: [ccp4bb] Minimum length of Protein Sequence

2011-01-10 Thread Tim Gruene
Hallo Naman, According to IUPAC: Naturally occurring and synthetic polypeptides having molecular weights greater than about 1 (the limit is not precise). http://goldbook.iupac.org/P04898.html Cheers, Tim On Mon, Jan 10, 2011 at 12:52:48AM -0500, naman mangukia wrote: Hello 2 all Does

[ccp4bb] Postdoctoral position at the Paris Descartes University (Paris, France)

2011-01-10 Thread Pierre Nioche
Dear All, Please note that we currently have a postdoctoral position available in Biochemistry/X-ray crystallography in our Structural Biology laboratory located in the center of Paris (France). For more details on the project, please see the attached document. You can also contact me

[ccp4bb] Post doc positions at Diamond

2011-01-10 Thread Martin Walsh
Dear All, just a new year reminder as application deadlines are approaching... We currently have two post-doc positions available at Diamond, one associated with beamline I04-1 and the other supported through the Wellcome Trust. Full details available in links below:

[ccp4bb] Changing cell constants

2011-01-10 Thread Debajyoti Dutta
Hi all, I have been processing data using XDS which results in the cell constants 179.1nbsp; 55.21nbsp; 149.5nbsp;nbsp;nbsp;nbsp;nbsp;nbsp;nbsp; 90nbsp; 124.3nbsp;nbsp;nbsp;nbsp; 90. and the space group is C2. Checking systematic absences have shown that the screw axis is not present. Again I

Re: [ccp4bb] Changing cell constants

2011-01-10 Thread Ian Tickle
No both settings are equally valid, it's just telling you that it has re-indexed to the conventional monoclinic cell with beta nearest to 90 (and = 90). I believe there's an option in pointless if you really want to keep the non-conventional cell with beta 120. -- Ian On Mon, Jan 10, 2011 at

Re: [ccp4bb] refinement problem

2011-01-10 Thread Ed Pozharski
At this resolution it is very much possible to choose a wrong space group. So try lower symmetry first and see if it helps. Check for twinning too. On Sat, 2011-01-08 at 19:08 +, Dimitris Ladakis wrote: Dear all I've got a 3A dataset processed with mosflm and scaled. I've runned MOLREP

Re: [ccp4bb] More on H scattering in low res structures.

2011-01-10 Thread Ed Pozharski
On Sun, 2011-01-09 at 13:45 -0600, Kenneth A. Satyshur wrote: So lets include them in all refinements, regardless of resolution. At least we will have given the community a model with the most correct biological representation. First of all, the fraction of structures in which the hydrogens

[ccp4bb] Jan 15, 2011 deadline- User proposal submission for Collaborative Crystallography at BCSB

2011-01-10 Thread Banumathi Sankaran
Dear Users, The deadline for March/April 2011 Collaborative Crystallography proposals will be *Jan 15, 2011.* Through the Collaborative Crystallography Program (CC) at the Advanced Light Source (ALS),

[ccp4bb] Postdoc position on photoreceptors in Heidelberg

2011-01-10 Thread Ilme Schlichting
A POSTDOCTORAL POSITION to study naturally occurring and rationally designed PHOTORECEPTORS is available at the Department of Biomolecular Mechanisms at the Max Planck Institute for Medical Research, Heidelberg. The highly interdisciplinary group focuses on understanding reaction mechanisms

[ccp4bb] dictionary files of polysaccharide for refmac run

2011-01-10 Thread Hailiang Zhang
Hi, I am running refmac on gp120(PDB 3FUS), and wondering whether there are any dictionary files (.cif) that have already been built for the polysaccharide (containing FUL BMA MAN NAG NDG, with NAG linked to ASN). Thanks in advance for any help! Best Regards, Hailiang

Re: [ccp4bb] dictionary files of polysaccharide for refmac run

2011-01-10 Thread Garib N Murshudov
Hi they are in the standard dictionary. To make sure that you have full range of ligand you may take the dictionary from www.ysbl.york.ac.uk/refmac/data/refmac_experimental/refmac_dictionary_v5.23.tar.gz and corresponding refmac

[ccp4bb] Saxs reviews or books

2011-01-10 Thread Rojan Shrestha
Hello: I am very novice about Small Angle X-ray Scattering. I am looking for introductory books or review papers. Could you recommend this type of document? Regards, Rojan

Re: [ccp4bb] Do carbon scattering include hydrogen

2011-01-10 Thread Pavel Afonine
HI James, Obviously, this depends a bit on which refinement program you use, and I am not familiar with all of them. However, I have had some conversations with Garib refmac Murshudov and Pavel phenix.refine Afonine about this, and the shocking answer appears to be no. wow, I've got a

Re: [ccp4bb] Saxs reviews or books

2011-01-10 Thread Eric Larson
Hello Rojan, This paper from last year may be a good place to start. It provides a nice road map through the small angle scattering experiment that a non-expert can follow while also describing the scattering data so that a non-expert can more critically evaluate it. I found it very

Re: [ccp4bb] dictionary files of polysaccharide for refmac run

2011-01-10 Thread Engin Özkan
Somewhat unrelated to your question, but relevant to what you are doing: I was once told by an expert that NDG is not known to occur much in glycoproteins; it is usually an NAG that was built using the wrong stereoisomer by a careless crystallographer. I have actually looked at a few

Re: [ccp4bb] Saxs reviews or books

2011-01-10 Thread Albert Guskov
Hi, you can check this page http://www.embl-hamburg.de/biosaxs/embo10.html there are several presentations plus recommended reading list. Cheers, Albert Albert GUSKOV (Dr) | Research Fellow | Division of Structural Computational Biology | Nanyang Technological University Proteos 7-01, Biopolis

Re: [ccp4bb] Saxs reviews or books

2011-01-10 Thread Sean Seaver
Hi Rojan, This paper may be more on the intermediate level, but is certainly worth a read. Koch MH, Vachette P, Svergun DI. Q Rev Biophys. Small-angle scattering: a view on the properties, structures and structural changes of biological macromolecules in solution. 2003 May; 36(2): 147-227.

Re: [ccp4bb] Saxs reviews or books

2011-01-10 Thread Edward Snell
I'd also highly recommend X-ray solution scattering (SAXS) combined with crystallography and computation: defining accurate macromolecular structures, conformations and assemblies in solution Christopher D. Putnam, Michal Hammel, Greg L. Hura and John A. Tainer Quarterly Reviews of Biophysics /