Re: [ccp4bb] Off Topic: Seeking references / reviews on Enzyme engineering

2011-08-03 Thread Bosch, Juergen
Some hints: Richter et al. De novo enzyme design using Rosetta3. PLoS ONE (2011) vol. 6 (5) pp. e19230 Fleishman et al. Computational design of proteins targeting the conserved stem region of influenza hemagglutinin. Science (2011) vol. 332 (6031) pp. 816-21 Röthlisberger et al. Kemp eliminati

[ccp4bb] PhD Student Position

2011-08-03 Thread Clemens Grimm
A 3-year PhD student position in protein biochemistry/structural biology is available at the Institute of Biochemistry, Biocenter of the Julius-Maximilians-University, Wuerzburg/Germany. The successful applicant will work on the Survival Motor Neuron (SMN) complex, a key player during the p

[ccp4bb] M/ISYM, BATCH columns in mtz file

2011-08-03 Thread G Y
Dear all, My mtz file has no columns for M/ISYM and BATCH. It was generated by xdsconv from XDS output. Would someone has any ideas how to get these columns in mtz file? Many Thanks, G

Re: [ccp4bb] M/ISYM, BATCH columns in mtz file

2011-08-03 Thread Phil Evans
If you want to get an unmerged XDS file into Scala for any reason, then you should use Pointless to do the conversion Phil On 3 Aug 2011, at 13:15, G Y wrote: > Dear all, > > My mtz file has no columns for M/ISYM and BATCH. It was generated by xdsconv > from XDS output. Would someone has any

[ccp4bb] 9th International NCCR Symposium on New Trends in Structural Biology - Registration now open

2011-08-03 Thread Sraboni Ghose
Dear colleagues, NCCR Structural Biology cordially invites you to its annual symposium at the University of Zürich, Switzerland. 9th International NCCR Symposium on New Trends in Structural Biology 1-2 September 2011 Register online at the symposium website: http://www.structuralbiology.uzh

[ccp4bb] TLS and ANISOU/RESIDUAL B-FACTORS - doubt

2011-08-03 Thread Catarina Silva
Dear all, I am trying to deposit a pdb containing TLS groups. PDB instructions states: "As we have mentioned on the start page for autodep, entries refined using REFMAC with TLS parameters must now contain the full B-factor in ATOM/HETATM records, with the TLS contribution coded into ANISOU recor

[ccp4bb] Postdoc position at SLS

2011-08-03 Thread Meitian Wang
Postdoctoral Fellow Protein Crystallography at SLS Your tasks As part of the development of next generation micro-crystallography at the undulator beamline X06SA, you will be involved in micro-focussing optics and micro-diffractometer upgrades. You will also be responsible for conceiving and imp

[ccp4bb] Software Engineer position at SLS

2011-08-03 Thread Meitian Wang
Software Engineer Protein Crystallography Beamlines at SLS Your tasks Within a small international software development team you are expected to develop software for the Generic Data Acquisition (GDA) framework (www.opengda.org). It is also your task to support the team in adapting this framewor

Re: [ccp4bb] TLS and ANISOU/RESIDUAL B-FACTORS - doubt

2011-08-03 Thread Miller, Mitchell D.
Hi Catarina , For your final refmac refinement job, you need to include the keyword TLSO ADDU to have the TLS contribution added to the residual B-factors. This keyword can also be set from the recent version of the ccp4i GUI by checking the checkbox for "Add TLS contribution to XYZOUT" in the TLS

Re: [ccp4bb] TLS and ANISOU/RESIDUAL B-FACTORS - doubt

2011-08-03 Thread Boaz Shaanan
Just wondering: wouldn't running tlsanal on the final refmac output as Catarina has it now put the true aniso record straight? Cheers, Boaz Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben-Gurion University of the Negev Beer-Sheva 84105 Israel E-mail: bshaa...@bgu.ac.il Phone: 972

Re: [ccp4bb] TLS and ANISOU/RESIDUAL B-FACTORS - doubt

2011-08-03 Thread Miller, Mitchell D.
Hi Boas, Yes, tlsanal would work but only if the structure was refined with the keyword TLSD waters exclude either by explicitly including the keyword or by using a version that of refmac that defaults to TLSD waters exclude. I believe that recent versions of refmac 5.6 default to tlsd water

Re: [ccp4bb] TLS and ANISOU/RESIDUAL B-FACTORS - doubt

2011-08-03 Thread Catarina Silva
Dear all, Thanks for the suggestions. I'll give it a try and see how it goes. Cheers, Catarina Silva On Wed, Aug 3, 2011 at 9:59 PM, Miller, Mitchell D. < mmil...@slac.stanford.edu> wrote: > Hi Boas, > Yes, tlsanal would work but only if the structure was > refined with the keyword > TLSD wat

[ccp4bb] stoichiometry of complex and incubator

2011-08-03 Thread m zhang
Dear all, I have two unrelated questions. Any suggestion on any of them will be greatly appreciated. First, we have two proteins that bind each other without a doubt. But since we have very limited amount of proteins and it takes a long time to reproduce them, we are very hesitating to try

Re: [ccp4bb] stoichiometry of complex and incubator

2011-08-03 Thread Konstantin v. Korotkov
Hi Min, If your proteins have cysteine residues, or you could introduce them into the sequence, then you could label the interacting proteins with a fluorescent label, run an SDS-PAGE and quantify the bands with a fluorescent scanner. See for example Supplementary Figure 1C in Fronzes et al.

Re: [ccp4bb] stoichiometry of complex and incubator

2011-08-03 Thread vandana kukshal
Hi , yes as *Konstantin* said if u have cysteine residue in ur any one of protein u can label that protein with Pyrene malemide or oregon malemide or other fluorescence dye then remove the dye by desalting column. titrate with second protein and do fluorescence anisotropy experiment

Re: [ccp4bb] stoichiometry of complex and incubator

2011-08-03 Thread isha raj
hi Min, I think SPR(Surface plasmon resonance) should suit your situation. The Biacore instrument I worked on required 200 µL of 10-50 µG protein(ligate) for immobilisation and 150µL of various concentration of the other protein(ligand) in the range of 50-1000 µg/ml. (depending on your situation t