Re: [ccp4bb] Is phophorylation possible in E. coli expression system?

2007-10-29 Thread mesters
Hi, Elongation factor Tu was one of the first E. coli proteins that was identified as being phosphorylated given certain conditions (early 90s). What I find interesting is the fact that EF-Tu becomes hyperphosphorylated if the cells grow at 20 degrees. Maybe this is also true for other pro

Re: [ccp4bb] pymol help

2007-10-29 Thread Flip Hoedemaeker
Hi Yangming, If you change the HETATM records of the ligand to ATOM records in the PDB file, you can replace the spheres for a surface representation, for which you can set the transparancy to make it less visible, that might help. Flip -Original Message- From: CCP4 bulletin board [mail

[ccp4bb] Workshop Announcement - X-ray Radiation Damage to Biological Crystalline Samples

2007-10-29 Thread Nave, C (Colin)
The Fifth International Workshop on X-ray Radiation Damage to Biological Crystalline Samples will be held at the Swiss Light Source from 13:00 March 3rd to 13:00 March 5th 2008. This series of workshops was originally concerned with the effects of radiation damage during investigation of protein s

Re: [ccp4bb] pymol help

2007-10-29 Thread Stefan Schmelz
Dear Yanming, To show "pretty" density of a model you have to import a ccp4 density map and display it around your ligand. The simplest solution is using ccp4 and tick the box "Generate weighted difference maps files in CCP4 format" when running Refmac5 (one or two cycles are enough). Speci

[ccp4bb] carving up maps (was re: pymol help)

2007-10-29 Thread Andrew Gulick
I'd be curious to know if there is any consensus in the community with using the "carve" command for showing maps. I have never felt comfortable showing density within a cutoff radius of a particular residue or--even worse--a ligand, and felt the figures should display the extraneous bits as well.

Re: [ccp4bb] pymol help

2007-10-29 Thread Yanming Zhang
Dear all, Sorry I did not make it clear in my first email. Now my question can boil down to: IS IT POSSIBLE TO ONLY ZOOM ONE OBJECT AND KEEP ALL THE OTHER OBJECTS UN-ZOOMED IN PYMOL? thanks Yanming On Mon, 29 Oct 2007, Yanming Zhang wrote: Hi, all, I want to make a pymol figure wich can

Re: [ccp4bb] Cost-effective imaging systems: recommendations and opinions requested

2007-10-29 Thread mesters
Dear Rebecca, a good microscope is very difficult to beat. The reason for this is the larger numerical aperture (= the maximum cone of light that can enter the lens) when compared to long and small-diameter tubes with a camera on top. The resolution of the camera is less important here and it

Re: [ccp4bb] Cost-effective imaging systems: recommendations and opinions requested

2007-10-29 Thread Anastassis Perrakis
Just my two cents with a bit of a delay ... 1. I have tried the 'cheap' solution and simply lost not so much money since it was damped to the junk yard at the end. We now have an 'expensive' solution (Crystal Farm) but - guess what - it works. Our cheap solution was the BioTom robot, from a

Re: [ccp4bb] carving up maps (was re: pymol help)

2007-10-29 Thread Anastassis Perrakis
Dear Andrew, Thank you for that posting; I would like to simply agree with the Bobscript manual and your suggested practice. I think the 'carve' commands should not be there; if you wonder why, take a ligand, put it wherever you want in space, set the map sigma to -0.5, display a map with c

Re: [ccp4bb] carving up maps (was re: pymol help)

2007-10-29 Thread Bart Hazes
Anastassis Perrakis wrote: Dear Andrew, Thank you for that posting; I would like to simply agree with the Bobscript manual and your suggested practice. I think the 'carve' commands should not be there; if you wonder why, take a ligand, put it wherever you want in space, set the map sigma to

Re: [ccp4bb] Pseudo-merohedral twinning and Molecular replacement

2007-10-29 Thread Iain Kerr
Thanks very much for all the suggestions so far. While I am pursuing all the checks and balances for twinning here are the Wilson plots I forgot to attach before..I am not sure what is going on, especially in B ! best, Iain On Oct 25 2007, Iain Kerr wrote: Dear all, I find myself pose

Re: [ccp4bb] Electron density function for ligands in real space?

2007-10-29 Thread Eleanor Dodson
If you put the coordinates into COOT it will give you a validation score. If you use the CCP$i map correlation procedures it will also give you a CC for the density match. The input in each case is the reflection file with appropriate amplitude and phase terms. What you use depends on what p

[ccp4bb] COOT 0.3.3 in OSX leopard does not work!!!

2007-10-29 Thread Azmiri Sultana
Hi,I just installed the OSX leopard on my Macbook. Tried to run COOT 0.3.3for intel 10.4 which I downloaded from CCP4 webpage. The installation proceeds without any problem. But, once I try to start it, it fails to start and give the following error message: 'Dyld Error Message: Symbol not found:

Re: [ccp4bb] Pseudo-merohedral twinning and Molecular replacement

2007-10-29 Thread Peter Zwart
Wilson plots are not very informative for the detection of twinning. The spikes you see in your Wilson plots, could be due to ise ring issues (both 3.89 and 2.24 A are at ice ring related d scapings.) The very large mean intensity in those resolution shells could be due to the fact that only str

Re: [ccp4bb] carving up maps (was re: pymol help)

2007-10-29 Thread Edward Berry
This is not such a problem when using the old "Map-cover" command in O, because the cut-offs are flat planes, you would get cubic density around each atom which would raise the suspicion of even the most gullible reader. But a better solution would be to not contour the carved surface- leave a ga

Re: [ccp4bb] carving up maps (was re: pymol help)

2007-10-29 Thread Artem Evdokimov
I don't like using 'carve' options but I can see where it may come useful. On the positive side, in the age where deposition of coordinates and structure factors is almost mandatory, there shouldn't be a question of how your map looks because presumably the skeptical reader can go and calculate on

Re: [ccp4bb] carving up maps (was re: pymol help)

2007-10-29 Thread Warren DeLano
> contour the real density, but only display the contours within > certain radius of selected atoms. That is exactly what PyMOL does. -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Edward Berry Sent: Monday, October 29, 2007 4:33 PM To: CCP4BB@JISCMAIL

[ccp4bb] Logfile Problem on Dual-Core Intal Mac with Os X Server 10.4 and CCP4 6.0.1

2007-10-29 Thread Justin Schmitz
Hello All! I have a problem with the output there from CCP4 into the log files on a dual-Core Intel Mac with Os X Server 10.4 and CCP4 6.0.1. ATREF X ALL Y ALL Z ALL OCC ALL AOCC ALL B ALL ATOM13 Ano 0.147 -0.001 0.7232.055 BFAC 20.000 ATREF X ALL Y ALL Z ALL OCC ALL AOCC ALL B ALL

[ccp4bb] Logfile Problem on Dual-Core Intal Mac with Os X Server 10.4 and CCP4 6.0.1

2007-10-29 Thread Justin Schmitz
Hello All! I have a problem with the output there from CCP4 into the log files on a dual-Core Intel Mac with Os X Server 10.4 and CCP4 6.0.1. ATREF X ALL Y ALL Z ALL OCC ALL AOCC ALL B ALL ATOM13 Ano 0.147 -0.001 0.7232.055 BFAC 20.000 ATREF X ALL Y ALL Z ALL OCC ALL AOCC ALL B ALL

[ccp4bb] Logfile Problem on Dual-Core Intal Mac with Os X Server 10.4 and CCP4 6.0.1

2007-10-29 Thread Justin Schmitz
Hello All! I have a problem with the output there from CCP4 into the log files on a dual-Core Intel Mac with Os X Server 10.4 and CCP4 6.0.1. ATREF X ALL Y ALL Z ALL OCC ALL AOCC ALL B ALL ATOM13 Ano 0.147 -0.001 0.7232.055 BFAC 20.000 ATREF X ALL Y ALL Z ALL OCC ALL AOCC ALL B ALL

Re: [ccp4bb] Pseudo-merohedral twinning and Molecular replacement

2007-10-29 Thread Peter Zwart
> the Nz test says no twinning and the intensity stats say this as well. > but the Britton and H-plots give a twin fraction of > 0.46-0.47 ! The britton and H test give an estimate of the twin fraction IF THE DATA IS WOULD BE TWINNED. The fact it gives a non zero value does not indicate the pres