Re: [ccp4bb] database-assisted data archive

2010-08-23 Thread Chris Morris
The PiMS team intends that the CCP4 records link not only with the synchrotron, but further back to crystallogenesis records in xtalPiMS, and protein production records in PiMS. The benefits this will provide include: - if you find an unexpected piece of electron density, navigating to records

[ccp4bb] and another MR problem

2010-08-23 Thread Teresa De la Mora
Dear all I have a molecular replacement problem and I really need your help with this one. My protein crystallized in C2 instead of P21 like it did before. Now when I tried to do MR to place it in C2 it doesn't work, I get no solution. This protein has been crystallized in P212121, P31,

Re: [ccp4bb] and another MR problem

2010-08-23 Thread Roger Rowlett
When doing MR, I usually try Phaser and EPMR. Phaser rarely fails for a high-homology MR search, but can have difficulty fitting 3 or more protein units in the ASU. EPMR is a little better, in my experience, in ferreting out a solution for 3 or more protein

Re: [ccp4bb] and another MR problem

2010-08-23 Thread Teresa De la Mora
Dear all The P21 unit cell is a=86.499 b=38.554 c=94.027 al=90.0 be=97.92 ga=90.0 The C2 unit cell is a=103.932 b=62.253 c=96.305 al=90.0 be=111.934 ga=90.0 Phaser and the other programs do give me solutions but the LLG in Phaser is about -1000's and the highest TFZ score I get is 4.9, and

Re: [ccp4bb] Disulfide Designer Program

2010-08-23 Thread Konstantin v. Korotkov
Hello, You could try Disulfide by Design: http://cptweb.cpt.wayne.edu/DbD/ Good luck, Konstantin On Mon, 23 Aug 2010, Jacob Keller wrote: Dear Crystallographers, I remember having heard of a program which takes a given oligomeric assembly, and suggests optimum disulfides to stablize the

Re: [ccp4bb] Disulfide Designer Program

2010-08-23 Thread Michael Thompson
I think that Disulfide by Design, or DbD, is geared toward monomeric proteins (ie. for enhancing stability). I'm sure you could get it to work with an oligomer with a little tinkering, but there is another server called sGAL that may be more like what you're looking for: