Re: [ccp4bb] odd waters

2008-05-27 Thread Bernhard Rupp
Dear All, the consensus is that Cl- is most likely, given the fact that backbone Ns and Arg are involved in the contacts. I think there is something wrong with my surface calulation - need to check. Thx! BR _ From: Petri Kursula [mailto:[EMAIL PROTECTED] Sent: Tuesday, May 27, 2008

Re: [ccp4bb] odd waters

2008-05-27 Thread Abhinav Kumar
Check the anomalous difference map on these sites. Thanks Abhinav Abhinav Kumar JCSG @ SSRL, MS 99 2575 Sand Hill Road Menlo Park, CA 945025-7015 Phone: 650 926 2992 Fax: 650 926 3292 On May 27, 2008, at 6:38 PM, Bernhard Rupp wrote: Dear All, something one/some of you might have seen alr

Re: [ccp4bb] Problem with crystallization of Se-Met labeled protein [Fwd: Rejected posting to [EMAIL PROTECTED]

2008-05-27 Thread Jens Kaiser
Hey Joe, set up a coarser grid around the native conditions. I know of one case where semet crystallized nearly 2 full pH units lower than native. A colleague made a couple of years ago a reasonable suggestion: don't do s-met at all, do the crystal screening directly with se-met. Nowadays certainl

[ccp4bb] odd waters

2008-05-27 Thread Bernhard Rupp
Dear All, something one/some of you might have seen already and might know what it might be/how to analyse: Material: dimer of Se-Met, Ni-purified, NaCl and NaAc in purification history. I have 4 'waters', 2 each in the same monomer location in a dimer of 2.5A Se-Met structure. They are multipl

[ccp4bb] Protein biochemistry position available

2008-05-27 Thread Bussiere, Dirksen
Novartis Oncology in Emeryville is seeking a highly motivated scientist to contribute with Protein Biochemistry expertise to the pre-clinical development of targeted oncology therapies. The candidate should have extensive expertise in the area of Protein purification and characterization. The i

Re: [ccp4bb] Problem with crystallization of Se-Met labeled protein

2008-05-27 Thread Artem Evdokimov
Hi, Unless you've already tried exhaustively - why not to try MIR, as you mentioned - there are many derivatives out there to be tried and with a small protein the chances are pretty good. All you need is one good derivative :) This certainly sounds easier than mutating exposed Met! Cross-seedin

Re: [ccp4bb] Problem with crystallization of Se-Met labeled protein

2008-05-27 Thread Jim Pflugrath
Have you thought about phasing off the sulfurs? This is quite a common technique nowadays. Jim On Tue, 27 May 2008, Joe Smith wrote: Dear all, Sorry for an off-topic query. I have been unable to crystallize a Se-met containing protein (8 Met in 206 amino acids) in the native crystallization

[ccp4bb] Problem with crystallization of Se-Met labeled protein

2008-05-27 Thread Joe Smith
Dear all, Sorry for an off-topic query. I have been unable to crystallize a Se-met containing protein (8 Met in 206 amino acids) in the native crystallization condition ( 0.1 M Tris pH 8.5, 1.2 M K-Na-tartrate; Theoretical pI of protein is 8.4). As expected, solubility of Se-Met containing protein

Re: [ccp4bb] pattern search in substructure?

2008-05-27 Thread Clemens Vonrhein
Hi Juergen, PROFESSS can be misused (?) to do this: - just create a PDB file first the pattern atoms (numbered 1 to N) and then the atoms of the substructure (numbered N+1 to M). - you can then look for 'NCS' where only (1-N) atoms are related to only (N+1-M) atoms. Just run something l

[ccp4bb] CCP4 at the ACA in Knoxville

2008-05-27 Thread Keegan, RM (Ronan)
Dear All, This year's ACA is nearly upon us and CCP4 will again be running a stand at the exhibition. Please come along to the stand where Francois and myself will be there to answer any questions you may have about the suite and demonstrate some of the new features in the upcoming CCP4 6.1 rele

Re: [ccp4bb] dry shipper on airplaine

2008-05-27 Thread Ronnie Berntsson
In my experience it is still possible to do so, but that rather depends from where you are flying. From my own experience it is always good to contact the airport in question well in advance, partly to check with them that it is ok, partly to let them know when you intend to fly. This tends

Re: [ccp4bb] Oxidized manganese?

2008-05-27 Thread Klaus Piontek
Dear Tiancen, I would look to the coordination of the Mn. In other words to the geometry and distances from the Mn to it's potential ligands. The most stable oxidation state of Mn is +2, with a octahedral (6-fold) coordination sphere and bond lengths (e.g. Mn-O) of 2.1-2.4 Å. For Mn3+ one wou

[ccp4bb] pattern search in substructure?

2008-05-27 Thread Juergen J. Mueller
Dear all, given a very overcrowded substucture (e.g. from SHELX, PnB for sulfur) in a big asymmetric unit (over 100 proposed S), given the resolution used for the substructur determination, given several possible S-patterns (taken from PDB), like PAN-pattern, Apple-pattern a.s.o. as a pdb-file.

[ccp4bb] Job offer: Protein Crystallographer (with Ph.D)

2008-05-27 Thread Blaesse, Michael
PROTEROS is a leading service-provider for the preparation and three-dimensional structural analysis of proteins for structure-guided drug discovery. Our work contributes to fast and rational development of new therapeutic compounds. Since its foundation in 1998, PROTEROS is a continuously growing,

[ccp4bb] dry shipper on airplaine

2008-05-27 Thread Clemens Grimm
Dear all, I wonder if it would be still/again possible to check in a dry shipper for a flight inside Europe. What is your experience? Cheers, Clemens

[ccp4bb] Oxidized manganese?

2008-05-27 Thread TC Hu
Dear all, Sorry for the non-topic question. We are working on an enzyme with two Mn2+ in its active center. The Mn2+-coordinated water molecules are responsible for binding and nucleophillic attack of the substrate. We soaked the protein crystal with an inhibitor and determined the structure, in w

Re: [ccp4bb] Coot for Fedora Core 3

2008-05-27 Thread Kay Diederichs
Vellieux Frederic schrieb: Dear All, Would anyone know where to find the latest stable release of Coot for Fedora Core 3? I tried to access the pages ~emsley on the York ysbl server, but to no avail (You don't have permission to access /~emsley/coot/ on this server.). Thank you in advance,

[ccp4bb] Coot for Fedora Core 3

2008-05-27 Thread Vellieux Frederic
Dear All, Would anyone know where to find the latest stable release of Coot for Fedora Core 3? I tried to access the pages ~emsley on the York ysbl server, but to no avail (You don't have permission to access /~emsley/coot/ on this server.). Thank you in advance, Fred. begin:vcard fn:Fred.