Re: [ccp4bb] refining phosphorylated residues

2012-03-22 Thread Boaz Shaanan
HI, You could use the LINK command after going through Jligand for your modified residues. There is a very nice tutorial here: http://www.ysbl.york.ac.uk/mxstat/JLigand/ in case you haven't done this before. Boaz Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben-Gurion University of

Re: [ccp4bb] refining phosphorylated residues

2012-03-22 Thread Eleanor Dodson
Have you checked the dictionary cif calls them L-peptide? Eleanor The header should look like this.. # data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level ALA ALA

Re: [ccp4bb] refining phosphorylated residues

2012-03-22 Thread Garib N Murshudov
In new version (it should be in ccp4 6.2.0, if not then it will come ccp4 6.3, otherwise you can take it from York's web site: ) TPO as well as SEP are peptides. Break in coot may be due to misinterpretation of SEP or TPO as peptide in coot and it may be because of older version of the

[ccp4bb] Defining beamstop and error during indexing- moslfm

2012-03-22 Thread sonali dhindwal
Dear All, We have collected a data for a protein crystal at SER-CAT Chicago and the detector is mar300.We are using mosflm to process the data.While indexing,  the beamstop which it is taking is wrong, due to which it fails. I am trying to define the beamstop manually using tools like mask and

Re: [ccp4bb] refining phosphorylated residues

2012-03-22 Thread Rajesh kumar
Dear All, Thanks for the suggestions. I will work on them.I had not worked on the modified residues, so thanks for all the valuable suggestions. RegardsRajesh Date: Thu, 22 Mar 2012 10:15:55 + From: ga...@mrc-lmb.cam.ac.uk Subject: Re: [ccp4bb] refining phosphorylated residues To:

Re: [ccp4bb] Defining beamstop and error during indexing- moslfm

2012-03-22 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear, as you open the imosflm-GUI there are three editable fields on top underneath the top menu which are for the beam position (x,y in mm) and the detector distance. As you tell imosflm which images to use, a display window pops open which allows

Re: [ccp4bb] Defining beamstop and error during indexing- moslfm

2012-03-22 Thread Andrew Leslie
Dear Sonali, Just to add to Tim's reply, when you open the image with iMosflm, you can Drag and drop the direct beam position in the image display window. First, you have to click on the leftmost icon in the row of icons under the image filename (a green cross) which will display the

Re: [ccp4bb] Defining beamstop and error during indexing- moslfm

2012-03-22 Thread Mark J van Raaij
If you are lucky (or should I say unlucky) and have an ice-ring on the same image or on another image collected during the same shift and similar distance, you can estimate the beam centre using the fit circle option. Although software (and beamlines) have improved greatly, it can still be a

[ccp4bb] Postdoctoral position, Institut de Biologie Stucturale, Grenoble, France

2012-03-22 Thread Franck Borel
Postdoctoral position, Institut de Biologie Stucturale, Grenoble, France A two year postdoctoral position for a biochemist/structural biologist is available in the Synchrotron Group at the Institute for Structural Biology (IBS) in Grenoble

[ccp4bb] contaminant when overexpressing a GST tagged protein

2012-03-22 Thread SANCHEZ BARRENA, MARIA JOSE
Dear all, I am trying to express a eukatiotic protein (E. coli codon optimized sequence) with a GST tag at the N-terminus. I always get my overexpressed protein and a contaminant around 60kDa. This contaminant is not washed out of the column when washing glutathione beads with 1M NaCl-buffer.

Re: [ccp4bb] Defining beamstop and error during indexing- moslfm

2012-03-22 Thread sonali dhindwal
Dear Andrew and all the people for their help, I am providing mosflm the right beamstop and now, I am able to do the indexing, refinement and indexing too.Then I run scala for the output mtz file and it shows Rmerge too high 0.58and also when examining the spots and predictions in the image, it

Re: [ccp4bb] Defining beamstop and error during indexing- moslfm

2012-03-22 Thread Francis E Reyes
What resolution are you working at? What are the unit cell dimensions? On Mar 22, 2012, at 11:10 AM, sonali dhindwal wrote: Dear Andrew and all the people for their help, I am providing mosflm the right beamstop and now, I am able to do the indexing, refinement and indexing too. Then I

Re: [ccp4bb] contaminant when overexpressing a GST tagged protein

2012-03-22 Thread Antony Oliver
I would hazard a guess of Gro-EL. With regards, Tony. --- Dr Antony W Oliver Senior Research Fellow CR-UK DNA Repair Enzymes Group Genome Damage and Stability Centre Science Park Road University of Sussex Falmer, Brighton, BN1 9RQ email:

[ccp4bb] Announcement of a working group for PDBx/mmCIF format adoption

2012-03-22 Thread Oliver Smart
Announcement of a working group for the adoption of the PDBx/mmCIF format for deposition and as an exchange format between programs for macromolecular crystallography. Following a meeting at PDBe Hinxton on 26/27 September 2011 organized by the wwPDB it was decided to form a working group for

Re: [ccp4bb] contaminant when overexpressing a GST tagged protein

2012-03-22 Thread Parthasarathy Sampathkumar
Hi Maria, As mentioned by Tony, it could be a chaperonin. Having little of ATP (0.5mM or less) and Mg2+ (1mM) in lysis buffer might help. Good Luck, Partha 2012/3/22 SANCHEZ BARRENA, MARIA JOSE xmj...@iqfr.csic.es Dear all, I am trying to express a eukatiotic protein (E. coli codon

[ccp4bb] nmr blog

2012-03-22 Thread Luthra,Amit
Is any NMR blog available for discussion? Amit Luthra, Ph.D. Post-Doctoral Fellow The Radolf Laboratory Department of Medicine University of Connecticut Health Center [e] aut...@uchc.edumailto:aut...@uchc.edu [p] 860/ 679 - 8390 [w] http://spirocheteresearch.uchc.edu/

Re: [ccp4bb] Defining beamstop and error during indexing- moslfm

2012-03-22 Thread Andrew Leslie
Hi Sonali, How did you assign the spacegroup ... did you run POINTLESS ? A table of Rmerge vs resln from SCALA would be helpful in addition to a screen shot of an image as Francis suggested. Andrew Dear Andrew and all the people for their help, I am providing mosflm the right

[ccp4bb] old-school stereo and Lion

2012-03-22 Thread Patrick Loll
The imminent replacement of Mobile-Me by iCloud provides an impetus for me to upgrade to Lion; but I'm currently happily using old-school stereo (i.e., a CRT monitor + Crystal-Eyes LCD glasses) under Snow Leopard. Can anyone attest to being able to use such equipment with Coot/PyMol under LIon?

Re: [ccp4bb] nmr blog

2012-03-22 Thread Min-Kyu Cho
You can check the following site. http://qa.nmrwiki.org/ http://nmrwiki.org/wiki/index.php?title=Blogs +--+ Cho, Min-Kyu Postdoctoral scholar Dept. of Biochemistry (Sanders lab.) Vanderbilt University School of Medicine, Nashville, TN Phone: 615-936-3757 |

Re: [ccp4bb] nmr blog

2012-03-22 Thread Kennedy, Michael Allen Dr.
Amit, One resource being developed is the NorthEast Structural Genomics Consortium ( http://www.nesg.org/ ) NMR Wiki. Please check it out at http://www.nmr2.buffalo.edu/nesg.wiki/Main_Page. Michael A. Kennedy, PhD Eminent Scholar and Professor Department of Chemistry and Biochemistry Miami

[ccp4bb] EMBO Course on Macromolecular Complexes, Grenoble 4-9 June 2012

2012-03-22 Thread Carlo Petosa
Dear All, This is the second announcement of an EMBO Practical Course on the Structural Characterization of Macromolecular Complexes. WHEN: 4-9 June 2012 WHERE: Grenoble, France TOPICS INCLUDE: Expression purification of multi-subunit complexes Biophysical biochemical

[ccp4bb] PhD position Centre for Molecular Medicine Norway (NCMM), Nordic EMBL Partnership, University of Oslo

2012-03-22 Thread jens Preben Morth
*Dear CCP4 * *Please forward this advertisement to suitable candidates* *best Preben * * Centre for Molecular Medicine Norway (NCMM), Nordic EMBL Partnership, University of Oslo* ** *1 PhD research fellowship* *Background:* The Centre for Molecular Medicine Norway (NCMM,

[ccp4bb] Refinement with pseudo-translation

2012-03-22 Thread Shiva Kumar
Dear CCP4bb members I have a 3.0 Å dataset which has an off-origin peak of height 36% in ‎patterson map. The peak is at fractional co-ordinates 0, 0.5, 0.5. Data has been indexed in P2(1)22(1) SG using HKL2000. I have located all the molecules in asu (as far as I know) using Molrep with the

[ccp4bb] OFFTOPIC: Plasmid for fast Baculovirus preparation.

2012-03-22 Thread Nian Huang
Dear All, Sorry for the non-ccp4 topic. I am trying make my Baculovirus preparation less time consuming and I found this paper:  http://www.ncbi.nlm.nih.gov/pubmed/15939308 Time reduction and process optimization of the baculovirus expression system for more efficient recombinant protein

Re: [ccp4bb] OFFTOPIC: Plasmid for fast Baculovirus preparation.

2012-03-22 Thread Pius Padayatti
http://www.lablife.org/p?a=vdb_viewid=g2.XyCli.11qhPxFTK4WFNANgFD.Xc- Is this that you were looking for?(all thanks to google) lablife gives you the whole sequence. make it if you really need it. All the best. Padayatti PS On Thu, Mar 22, 2012 at 8:39 PM, Nian Huang huangn...@gmail.com wrote: