Re: [ccp4bb] molecule on symmetry axis

2010-10-20 Thread Jacqueline Vitali
Dear colleagues, Thank you for your suggestions. I was able to do the refinement of the sulfates and tartaric acid in phenix by changing the occupancies to 0.33 and 0.5, It appears to me (from the log file and from graphics afterwards) that the program automatically turns off the interaction wit

[ccp4bb] R-free flag problem.

2010-10-20 Thread Vinson LIANG
Dear all, Recently I deposited a structure to PDB. However, I was told >> The R value of SF check are different from your reported value. >> >> R work in SF check = 0.2859 >> your reported R work = 0.1474 >> Also there are no R free flags in your sending files, but you reported R >> fre

[ccp4bb] update--degradation of MBP fusion protein

2010-10-20 Thread Jerry McCully
Dear ALL; Firstly I'd like to thank folks for the various suggestions to handle the degradation of MBP fusion protein. According to these suggestions, I have tried shortening the linker between MBP and target protein. We can get decent yield of the full-length protein now. We

[ccp4bb] **Possible spam**cryoprotetant for 35% Dioxane

2010-10-20 Thread Jerry McCully
Dear All; We just got some crystals from 35% (v/v) Dioxane. We are going to collect some data soon. Does anyone have the experience with the cryoprotectant in this condition? Thanks a lot, Jerry McCully

[ccp4bb] FOM: Phaser vs SigmaA

2010-10-20 Thread Goragot Wisedchaisri
Hi, I have helices that I did rigid body refinement with Phaser (after phased rotation and phased translation in Molrep). I compare FOM output by Phaser to the FOM computed by sigmaA using the Phaser refined coordinates and found that FOM from Phaser is only about half (~0.25) of FOM from Sigma

Re: [ccp4bb] refining structures with engineered disulfide bonds

2010-10-20 Thread Bart Hazes
SSBOND actually predicts pairs of residues that, if mutated to cysteine, can form a stable disulfide but does so on first principles, not with a database of preferred conformations. (The server is at http://129.128.24.248/forms/ssbond.html) In this case the 2.7 Angstrom S-S distance is clearly

Re: [ccp4bb] refining structures with engineered disulfide bonds

2010-10-20 Thread Frederic VELLIEUX
Bart Hazes wrote a program (and published as well, Hazes & Dijkstra perhaps) called SSBOND I think. I cannot remember exactly what the computer program does, but it certainly has a data base of "possible" disulphide bond conformers. Hence I would myself certainly check your second didulphide to

[ccp4bb] refining structures with engineered disulfide bonds

2010-10-20 Thread Seema Mittal
Hi All, I have engineered intra-molecular disulfide bond in my protein monomer. The protein functions as a homodimer. In crystal structure, there is clean electron density for the S-S bond in one monomer (bond length 2.2A), but there seems to be slightly messy density for the same in th

Re: [ccp4bb] what package provides libg2c.so.0 on Ubuntu ? - solved

2010-10-20 Thread Stephen Weeks
I know I'm late to the game, but for anyone who needs a supported version of libg2c.so for running old code then you need to install gcc-3.4. From the following site go to the jaunty link. You then need to install the gcc-3.4-base and the lib32g2c0 runtime library. https://launchpad.net/ubuntu/+so

Re: [ccp4bb] what package provides libg2c.so.0 on Ubuntu ? - solved

2010-10-20 Thread Edward A. Berry
On the scalepack download site there are multiple versions of the latest version. drwxrwxr-x 20 root presiden 4096 Jun 2 12:27 archive drwxr-xr-x 4 iwonapresiden 4096 Jul 17 2008 ver_098.698s drwxr-xr-x 2 iwonapresiden 4096 Apr 3 2009 ver_098.699SM drwxr-xr-x 3 iwonap

Re: [ccp4bb] Cys auxotroph

2010-10-20 Thread Paula Salgado
We are still waiting for proofs, so it might be a few weeks before its published. If anyone is interested, please email me requesting a preview version. Paula PS: Francois, we did cite and used your work as starting point. On 20 October 2010 10:39, francois@cbs.cnrs.fr wrote: > Hi Paula >

Re: [ccp4bb] what package provides libg2c.so.0 on Ubuntu ?

2010-10-20 Thread Tim Gruene
On Wed, Oct 20, 2010 at 10:13:09AM +, Leiman Petr wrote: > Dear Ed, > > This libg2c: > http://dl.dropbox.com/u/3579334/libg2c.tgz > works with older scalepack versions requiring it. It is a 32 bit library and > should run on 64 bit and 32 bit systems. > > I have not tried the 699m version of

Re: [ccp4bb] what package provides libg2c.so.0 on Ubuntu ?

2010-10-20 Thread Leiman Petr
Dear Ed, This libg2c: http://dl.dropbox.com/u/3579334/libg2c.tgz works with older scalepack versions requiring it. It is a 32 bit library and should run on 64 bit and 32 bit systems. I have not tried the 699m version of HKL2000, but 699a and 699k2 segfault on my standard 64 bit Ubuntu (10.04.1)

Re: [ccp4bb] what package provides libg2c.so.0 on Ubuntu ?

2010-10-20 Thread Tim Gruene
Dear Edward, the latest version of HKL2000 does not require libg2c.so anymore: t...@shelx8:/usr/local/bin$ ldd scalepack linux-gate.so.1 => (0xf7744000) libm.so.6 => /lib32/libm.so.6 (0xf7702000) libcrypt.so.1 => /lib32/libcrypt.so.1 (0xf76d) libc.so.6 => /lib3

Re: [ccp4bb] Refinement

2010-10-20 Thread Eleanor Dodson
On 10/19/2010 12:39 AM, Jyotica Batra wrote: Hi All I have a dataset at 1.9A, spacegroup-P212121 (unit cell: 37.7, 39.52, 231.72, 90, 90, 90), I used MR phaser and got a structure solution with LLG= 320 (1copy/a.u) . During refinement, the R-free (50%) and R-factors (42%) never go down. I hav

Re: [ccp4bb] deposition related question

2010-10-20 Thread Tim Gruene
Dear Sudhir, You don not need to deposit these logfiles themselves, and only need to fill in the fields in the web-mask of the PDB-desposition procedure with the appropriate statistics you should find in these files. Tim On Wed, Oct 20, 2010 at 10:09:07AM +0530, Sudhir Kumar wrote: > dear all, >

Re: [ccp4bb] what package provides libg2c.so.0 on Ubuntu ?

2010-10-20 Thread Vellieux Frederic
Hi, For questions relating to a specific package (if it is in rpm format, I don't know what the Uuntu installation software uses as packages), you can use the rpm search web site http://rpm.pbone.net/ (in addition to http://www.rpmfind.net/ , can't search in rpmfind.net at the moment, it says