Re: [ccp4bb] Scaling question

2010-06-08 Thread James Holton
Check your mosflm input file. If this is an "ADSC" type detector and you have specified that it is (using "DETECTOR TYPE ADSC" or "SCANNER TYPE ADSC"), but have not explicitly specified the overload limit with "OVERLOAD CUTOFF", then the default overload cutoff for integration will be 100,000,

Re: [ccp4bb] Softwares for Protein-Protein docking!

2010-06-08 Thread Rotem Sertchook
See the list in the following link http://bip.weizmann.ac.il/toolbox/structure/binding.htm#pp Good Luck Rotem Sertchook On 8 Jun, 2010, at 21:59, xaravich ivan wrote: Dear CCP4 users, Though this is not directly linked to ccp4, i bet many of you have solved crystal structures of the ligand a

[ccp4bb] Off-topic: Univ California boycott of Nature publishing group

2010-06-08 Thread William G. Scott
Hi folks: Sorry about the off-topic nature (so to speak) of this post, especially given that it is not yet Friday, but I am interested what our community thinks of this: http://library.ucsc.edu/sites/default/files/Nature_Faculty_Letter.pdf Something similar happened with UC and Cell Press a fe

Re: [ccp4bb] Softwares for Protein-Protein docking!

2010-06-08 Thread Biswajit Pal
Hi Ivan, Recently I used PatchDock (http://bioinfo3d.cs.tau.ac.il/PatchDock/index.html) to find interface between two proteins. Good luck, Biswajit Dr. Biswajit Pal, Scientist, Centre for Cellular and Molecular Biology, E009, Uppal Road, Hyderabad - 500 007, India. Phone : +91-40-2719-2831, Fax :

Re: [ccp4bb] insect cell media

2010-06-08 Thread Thomas Cleveland
Hi, We are using a modified version of ISFM with 10 g/L glucose, based on a paper by Maiorella et al. from around 1988 or 1989. This is a medium that is based on IPL-41, which we purchase as a powder, and supplemented with ultrafiltered yeastolate and lipids. It is completely protein-free. It i

[ccp4bb] EM data policies

2010-06-08 Thread Bernhard Rupp
Dear All, Filip and I have arranged for him to present the issue of EM data deposit policies at the USNCCr meeting on Fr before the ACA meeting in Chicago. If anyone has suggestions/ideas that might be worthwhile a discussion at that policy meeting, please let Filip or me know. The National Acade

Re: [ccp4bb] JLigand Coot link

2010-06-08 Thread Paul Emsley
Briefly (and top-postingly), Coot does not draw covalent bonds between non-tandem residues. Coot will represent LINK records if they are in the PDB file. Coot will respect the links generated by JLigand if you try to do sphere refinement. The Coot <--> JLigand internface will improve in th

Re: [ccp4bb] JLigand Coot link

2010-06-08 Thread Tim Gruene
Hi Sean, do the ligand and the Thr belong to the same chain, and did you check that the distance between the bonding atoms is not beyond coot's cut-off? Tim On Tue, Jun 08, 2010 at 11:16:03AM -0700, Sean Gay wrote: > I have used JLigand v 0.2.1 to create a link between a Thr residues and > a c

Re: [ccp4bb] Softwares for Protein-Protein docking!

2010-06-08 Thread Günter Fritz
Hi Ivan, you find a compilation there: http://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php/Bioinformatics#Docking hth guenter Dear CCP4 users, Though this is not directly linked to ccp4, i bet many of you have solved crystal structures of the ligand and receptor separately and tried to do

Re: [ccp4bb] Softwares for Protein-Protein docking!

2010-06-08 Thread Bosch, Juergen
http://rosettadock.graylab.jhu.edu/ Good luck ! 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 Phone: +1-410-614-4742 Lab: +1-410-6

[ccp4bb] Softwares for Protein-Protein docking!

2010-06-08 Thread xaravich ivan
Dear CCP4 users, Though this is not directly linked to ccp4, i bet many of you have solved crystal structures of the ligand and receptor separately and tried to dock it. is there any program that docks two protein molecules. We have an overall idea where the protein will bind to the receptor. Is th

[ccp4bb] JLigand Coot link

2010-06-08 Thread Sean Gay
I have used JLigand v 0.2.1 to create a link between a Thr residues and a covalent adduct. The adduct refines well and shows up as a covalent bond in PyMOL. However, when I'm in Coot there is no bond present between the Thr OG1 and the ligand. I've loaded the Jligand link.lib file that I create

Re: [ccp4bb] MR on low resolution soaking data.

2010-06-08 Thread yang li
Dear All, Thank you for your help! There do have something needed to be checked carefully, as you suggested. Peter Zwart showed me the right way of explore_symmetry_metric, which indicated there is some relationship between the two unit cells. I hope it can explain the strange wilsonB and fa

[ccp4bb] How to fit the crystal structure into the em model(not the real data but the vrml file)

2010-06-08 Thread junfeng liu
Hello, I am working on a protein whose EM model has been built long time ago. The crystal structure has been solved recently and I want to know the difference between the crystal structure and EM model. Unfortunately there is no data in the EM data base, so I can not use Chimera or Phaser to

[ccp4bb] Anisotropic Diffraction Examples

2010-06-08 Thread Matthias Zebisch
Dear everybody! I am currently having an issue with anisotropic diffraction and would like to cite some references. I am sure there are plenty of examples outthere. So, if you are having an own published example at hand, can you please send me the reference and maybe the diffraction limits a

Re: [ccp4bb] Scaling question

2010-06-08 Thread Phil Evans
I don't know. Which reflections are missing? Strong ones, weak ones, near the rotation axis ... ? Phil On 8 Jun 2010, at 14:27, Simon Kolstoe wrote: > Thanks Tim, Phil and Andrew for your answers. > > Just one further related question: > > Why is it that mosflm seems to report higher complete

Re: [ccp4bb] Scaling question

2010-06-08 Thread Simon Kolstoe
Thanks Tim, Phil and Andrew for your answers. Just one further related question: Why is it that mosflm seems to report higher completeness than XDS on the same data (I've seen this on about 50 datasets)? I always thought it was due to mosflms peak extrapolation but it seems this isn't the

Re: [ccp4bb] purification of a strange protein

2010-06-08 Thread Paul Kraft
Oliver, first, what is the source organism of the protein, human, dog, cat, insect, or bacterial? second, how big is the native protein, and how big are the tags you've added? third, how many transmembrane spans are predicted (use any of the million programs available) fourth, when you seperate t

[ccp4bb] UK Analytical Ultracentrifugation Meeting and Workshops

2010-06-08 Thread Dave Scott
Hello All, This maybe of interest to people working with complementary techniques to PX. We are hosting the Annual Analytical Ultracentrifugation Workshop and Conference on 12th-16th September 2010 at the Park Plaza Hotel in Nottingham, UK. This will consist of: (i) Software and AUC workshop (12t

Re: [ccp4bb] MR on low resolution soaking data.

2010-06-08 Thread Eleanor Dodson
The easy Q first: Wilson plot B values are very unreliable for 4A data - b=20 is almost certainly wrong, but until you have a model to refine it is hard to get a proper estimate. Q2: With a decent model the ligand should show up as a blob, even at this resolution. You might have trouble fi