Re: [ccp4bb] Optimizing xtals conditions

2012-08-15 Thread Herman . Schreuder
Dear Christine, Slow crystallization may also be due to some residual protease activity, which cuts away a flexible loop. You could check this with mass spec or running a gel with protein from a crystal. If it turns out that you need proteolysis to get crystals, you could try in situ proteolyis b

Re: [ccp4bb] phaser with MR------search ensemble

2012-08-15 Thread Eleanor Dodson
The ensemble should be a set of coordinates Eleanor On 15 Aug 2012, at 04:42, 李华 wrote: > Dear ccp4er, > I try to use Phaser MR to solve a structure. A mtz file from oasis was > used as a ensemble. All of the parameters containing protein MW, nucleic acid > MW, extent of X, Y, Z and center

Re: [ccp4bb] CCP4 6.3.0 release

2012-08-15 Thread Morten Groftehauge
To anyone with problems with coot after installing 6.3.0 in Ubuntu Linux: I added the line export PATH=/path/to/ccp4-6.3.0/coot-0.6.2/bin:$PATH to my .bashrc after removing the referrals to my old ccp4 installation setup scripts. If you don't removed or comment them out I guess that your old coot i

Re: [ccp4bb] phaser with MR------search ensemble

2012-08-15 Thread Randy Read
No, it's possible also to specify a model in the form of the molecular transform in an MTZ file, derived either from coordinates or a density map. I see that I failed to "Reply all" in my earlier reply to this email, which was the following: = Does the MTZ file from oasis contain electron d

[ccp4bb] 答复: [ccp4bb] phaser with MR------search ensemble

2012-08-15 Thread 张涛
Hi Hua, I am so curious why you used an mtz file from OASIS as ensemble. OASIS has ability to complete the model, position and orientation of which have been determined correctly. And PHASER is a quite excellent program to fix MR model. So I think a normal procedure is PHASER -> OASIS, but n

[ccp4bb] Fall BioSAXS beamtime available at MacCHESS

2012-08-15 Thread Richard Gillilan
BioSAXS beamtime at CHESS is now available for Fall 2012! Dear BioSAXS users, Beamtime is still available during the Fall running period (Sept 12 - Nov 19) for BioSAXS. To apply for time, please fill out the short online express-mode form at express.chess.corne

[ccp4bb] high purity DMSO?

2012-08-15 Thread Garboczi, David (NIH/NIAID) [E]
We're dissolving ligands in DMSO and then mixing with protein for co-crystals and soaking. We suspect that our DMSO may be impure or degraded. Does anyone know a source for high grade, high-purity DMSO? thanks, Dave --

[ccp4bb] Off topic: SYPRO Orange

2012-08-15 Thread Mo Wong
Hi all, Does anyone know if SYPRO orange can be purchased in any form other than a DMSO stock? If not, has anyone successfully removed DMSO from a concentrated stock of SYPRO orange (i.e., via centrifugal evaporation)? Thanks

[ccp4bb] Br-dU in Phenix refinement

2012-08-15 Thread Cui Sheng
Dear all: I tried to build 5’-Br-dU in my coordinate. I imported Br-dU from monomer lib (coot) and put it in the position, merged the molecules, renamed the Chain ID and renumber the residues, everything was ok. However, when I did refinement with Phenix (using elbow to generate cif file f

[ccp4bb] Mr. Bump and adding FASTA to CCP4 6.3 installation?

2012-08-15 Thread Nathan Pollock
Hello, Mr. Bump "requires Fasta to be installed". Could someone tell me what needs to be done to install Fasta so that it is seen and used by CCP4 6.3 programs? Installers for previous versions, 6.1 and 6.2, also installed Fasta, for 6.3 we are supposed to download and install manually. OK, I dow