[ccp4bb] Daily Digest Version of CCP4BB

2008-04-24 Thread hua jing
In case someone do not know this feature or how to set it up, you can choose to get the daily digest version of CCP4BB so that your mail box will not be filled with mails that you can't find time to read individually. I have just changed my settings at JISCMAIL web site. You would have to click

Re: [ccp4bb] Scala summary and log file- sometimes shortened

2008-04-24 Thread hari jayaram
Hello everyone, It seems that the reason I get "short summaries" in scala is because the "Show Summary button" is affected by a possible intermitently appearing change in scala log file formatting. When I looked for the text "Summary" in the log file I did find the entire table -intact. SO just

[ccp4bb] Question about Phoenix crystallization robot

2008-04-24 Thread Diana Tomchick
BACKGROUND: Recently we acquired an Art Robbins Phoenix crystallization robot. This instrument is in a shared environment, accessible to labs with projects that range from small, well-behaved soluble cytosolic proteins to large complexes and integral membrane proteins. Many of our users ob

Re: [ccp4bb] arp/warp and refmac problem on os x

2008-04-24 Thread Ronnie Berntsson
Thanks for a very quick answer, it indeed solved the problem. Cheers, Ronnie On Apr 24, 2008, at 4:55 PM, Chris Richardson wrote: On 24 Apr 2008, at 3:38 PM, Ronnie Berntsson wrote: I've got a rather weird problem when trying to run arp/warp. When trying to run arp/warp (latest version 7.0.

Re: [ccp4bb] arp/warp and refmac problem on os x

2008-04-24 Thread Anastassis Perrakis
in arp/warp classic the script does not call refmac5 (the first thing in your path) but $CBIN/refmac5 (refmac from the CBIN place) I suspect that you still kept refmac 5.2 in the official CBIN directory and put refmac5 in another location but earlier in your path, so its picked up first ...

Re: [ccp4bb] arp/warp and refmac problem on os x

2008-04-24 Thread Chris Richardson
On 24 Apr 2008, at 3:38 PM, Ronnie Berntsson wrote: I've got a rather weird problem when trying to run arp/warp. When trying to run arp/warp (latest version 7.0.1) it complains that I should install a newer version of Refmac (5.4.0045). The version of Refmac I have installed is 5.4.0066, an

[ccp4bb] arp/warp and refmac problem on os x

2008-04-24 Thread Ronnie Berntsson
Hi, I've got a rather weird problem when trying to run arp/warp. When trying to run arp/warp (latest version 7.0.1) it complains that I should install a newer version of Refmac (5.4.0045). The version of Refmac I have installed is 5.4.0066, and thats what is being used if I run Refmac bot

Re: [ccp4bb] Setting drops with proteins that are hard to concentrate

2008-04-24 Thread Manish Chandra Pathak
Dear Matt, In one of our project, the protein of interest used to elute from Ni-column with ~20 other proteins. I also guessed it due to surface Cysteines. Addition of 2mM free Cys in the protein sample helped, which competed with free Cys on the protein surface and, ultimately, gave happy

Re: [ccp4bb] Setting drops with proteins that are hard to concentrate

2008-04-24 Thread Guenter Fritz
Dear Matt, make sure that you don't have slow or even fast formation of unspecific intermolecular disulfides by simple checks at several time points on SDS-PAGE using sample buffer without DTT. Check the content of free thiols and disulfides of your protein over a period of time. If you need

Re: [ccp4bb] Help with pseudosymmetry problem

2008-04-24 Thread Alexei Vagin
we have NCS rotation (158.56, 180, 0) - rotation matrix [R] and we have two CS operators (P21) - rotation matrix (0 0 0) [1] and (90 90 180) [2]. So, all symmetry related (for [R]) rotations are [1][R][1] = [R] - (158.56, 180, 0) [1][R][2] = [R][2] - ( 111.44 0.0 180.0) [2][R][1] = [2][R] - ( 11

Re: [ccp4bb] Setting drops with proteins that are hard to concentrate

2008-04-24 Thread Kornelius Zeth
can't you try different volumes: i.e. 360 nl protein solution in very little buffer and salt + 40 nl precipitant. Should give roughly 10 mg/ml after equilibration. Best wishes Kornelius On Thu, 24 Apr 2008 12:42:42 +0100 Roberto Steiner <[EMAIL PROTECTED]> wrote: > I have a similar problem Ma

Re: [ccp4bb] Setting drops with proteins that are hard to concentrate

2008-04-24 Thread Roberto Steiner
I have a similar problem Matthew. Just got some NVoy from Novexin in which some claim can help if hydrophobic patches are the main problem. Will see. Regards, Roberto On 24 Apr 2008, at 12:35, Bottomley, Matthew wrote: Dear All, I have a 50kDa protein that is soluble and monodisperse at up

[ccp4bb] Setting drops with proteins that are hard to concentrate

2008-04-24 Thread Bottomley, Matthew
Dear All, I have a 50kDa protein that is soluble and monodisperse at up to approx 1mg/ml (after Ni-affinity and size-exclusion chromatography). However, it aggregates (probably both via disulphides and via 'sticky/hydrophobic patches') when I concentrate it towards 2-3mg/ml, even in the presence

Re: [ccp4bb] sfall in "MODE ATMMAP RESMOD" mode misreads PDB coordinates

2008-04-24 Thread Eleanor Dodson
As far as I know SFALL reads PDB files - I dont think there is an option to input fractional coordinates.. I suspect it thinks everything is displaced one space to the left or right .. Can you run pdbset xyzin now.pdb xyzout now+.pdb end and see if there is any difference? When I run the map

Re: [ccp4bb] Help with pseudosymmetry problem

2008-04-24 Thread Eleanor Dodson
Frankly when faced with these problems of generating symmetry equivalents i revert to almn, where a) I can guarantee the orthogonalisation is as I expect, and b) it generates an exhaustive set of symmetry equivalent peaks. But that is old technology.. If you have two dimers in the asymmetric

Re: [ccp4bb] Help with pseudosymmetry problem

2008-04-24 Thread Derek Logan
Hi Peter, Can you try to run xtriage and see what it tells you in terms of possible twin laws and merging statistics in higher symmetry space groups? The log file is attached. xtriage does not find any clear signs of pseudosymmetry or higher metric symmetry, but it does detect the pseudo-t

Re: [ccp4bb] sfall in "MODE ATMMAP RESMOD" mode misreads PDB coordinates

2008-04-24 Thread Adam Ralph
Hi Pietro, It looks as though SFALL thinks you have fractional coords and has coverted them into orthog ones. Does the PDB have a CRYST1 and SCALEi cards? Adam On Thu, 24 Apr 2008, Pietro Roversi wrote: > Dear everyone, > > I am using sfall in "MODE ATMMAP RESMOD" to

[ccp4bb] Dashed lines in coot

2008-04-24 Thread yang li
Hi All, These days I found the model and the density map changed to dashed lines after typed something wrong in the keyboard, I donnot know what have been typed and couldnot change it back to the normal appearance until rerun coot. The version of my coot is 0.3.3 in fedora. Does anybody know a

[ccp4bb] sfall in "MODE ATMMAP RESMOD" mode misreads PDB coordinates

2008-04-24 Thread Pietro Roversi
Dear everyone, I am using sfall in "MODE ATMMAP RESMOD" to compute a tagged map with which to score a model against a map. The input PDB is OK and regularly read by all programs - but sfall seems to interpret the coordinates wrongly (see the list of the firs