Re: [ccp4bb] coot: Show Symmetry

2007-12-04 Thread Tim Gruene
Your pdb-file should contain a line starting with CRYST1 containing cell dimensions and space group. Maybe this is not the case for your pdb-file? What is the output of grep CRYST1 pdffile where you replace 'pdffile' with the name of the file you are loading into coot? Tim -- Tim

Re: [ccp4bb] coot: Show Symmetry

2007-12-04 Thread George M. Sheldrick
This happens if you try to read a .pdb file from SHELXL into Coot directly. SHELXL doesn't know the name of the space group (!), only the symmetry operators (with the advantage that it has no problems with non-standard settings) so it doesn't put the name of the space group onto the CRYST1

Re: [ccp4bb] how to change a membrane protein into a water soluble protein?

2007-12-04 Thread Brenda Patterson
Another option is refolding which can increase soluble protein content and is used routinely to achieve soluble protein such as the TIMPs http://peds.oxfordjournals.org/cgi/content/abstract/7/8/1035 http://www.proteinscience.org/cgi/reprint/11/10/2493.pdf?ck=nck that said, this is not true of

[ccp4bb] I have my bound ligand (I think), now what?

2007-12-04 Thread Brenda Patterson
Hello all, right, I think I have found a ligand bound to my protein. I used the COOT utility to find the ligands after reading in a model and library file generated by sketcher of my ligand. Now I am a bit unsure as to how to proceed? How can I 'accept' a state and/or refine it? Maybe

Re: [ccp4bb] how to change a membrane protein into a water soluble protein?

2007-12-04 Thread Scott Pegan
Don't know if anyone has mentioned this paper but its an exact example how to make a K channel soluble. Roosild TP, Choe S. Redesigning an integral membrane K+ channel into a soluble protein. Protein Eng Des Sel. 2005 Feb;18(2):79-84. Epub 2005 Mar 23. PMID: 15788421 [PubMed - indexed for

[ccp4bb] Postdoctoral Research Associate at Brookhaven National Laboratory

2007-12-04 Thread Allen M. Orville
POSTDOCTORAL RESEARCH ASSOCIATE - Project Title: “Novel Methods for Microcrystal Structure Determination at NSLS and NSLS-II” Location: Brookhaven National Laboratory, Upton, NY, U.S.A. This new project is under the direction of A. M. Orville, and is also associated with the PXRR group

Re: [ccp4bb] how to change a membrane protein into a water soluble protein?

2007-12-04 Thread Narayanasami Sukumar
Another reference: N. Sukumar, Y.Xu, D.L. Gatti, B.Mitra and F.S. Mathews Structure of an Active Soluble Mutant of the Membrane-Associated (S)-Mandelate Dehydrogenase Biochemistry 40,9870-9878 (2001). In this paper, the membrane protein is converted into the soluble protein by replacing an

Re: [ccp4bb] I have my bound ligand (I think), now what?

2007-12-04 Thread Juergen Bosch
Hi Brenda, you'll need a cif description file for your ligand which you will read in either Coot or Refmac so that it will also refine correctly. I usually get my cif's from the Dundee PRODRG server, you can either paste your current coordinates as ATOMS in the provided field or sketch your

[ccp4bb] PEG MW vs. cryoprotectivity

2007-12-04 Thread price
We've been having a discussion in the lab about whether or not middle-sized PEGs such as 4000 can be expected to serve as cryoprotectants (and if not, why certain commercial kits are formulated the way they are). Can anybody shed some light / references on the question of the size of PEGs vs.

[ccp4bb] skin on a drop

2007-12-04 Thread Yue Li
Hi All, As we know, there is a skin on a crystallization drop, especially when the drop contains PEG. Does anyone know what the skin is, a degraded protein ? How to prevent it ? Thanks Simon

Re: [ccp4bb] skin on a drop

2007-12-04 Thread james whisstock
Hi Try setting up at 4C can help J Hi All, As we know, there is a skin on a crystallization drop, especially when the drop contains PEG. Does anyone know what the skin is, a degraded protein ? How to prevent it ? Thanks Simon

[ccp4bb] How to make a structure-based multiple sequence alignment on DALI server?

2007-12-04 Thread david wu
Hi all, I want to produce structure-based multiple sequence alignment of my protein with five of its homologs on DALI server. However, when I tried the Database Search Form, only one homolog was picked up from PDB. If I align my protein with each homolog by the DaliLite Pairwise comparison,

Re: [ccp4bb] How to make a structure-based multiple sequence alignment on DALI server?

2007-12-04 Thread James Irving
You can perform a multiple structural alignment using MUSTANG ( http://www.bx.psu.edu/arun/research/mustang/), which draws upon some of the underpinnings of the DALI approach. James