[ccp4bb] recommendations for pH meter

2012-07-17 Thread Anirban Banerjee
Dear all, May I ask for recommendations for pH meters that work reliably over the range of buffers and components that constitute common crystallization screens ? Thanks very much in advance. Anirban

Re: [ccp4bb] off-topic:a dataset from a polluted sample

2012-07-17 Thread Kornelius Zeth
Dear Tianlong, you may use Arcimboldo using e.g. a long helix (or b-hairpin) as starting model for de novo phasing. If you succeed to phase your structure, you should be able see if it was part of your protein. Best wishes Kornelius On Wed, Jul 18, 2012 at 6:46 AM, Tianlong Zhang wrote: > **

Re: [ccp4bb] off-topic:a dataset from a polluted sample

2012-07-17 Thread Murray, James W
Dear Tianlong, You have probably crystallized a contaminant. You can check to see if your unit cell has been seen before in the pdb with this service from Robert Esnouf at Srubi, http://www.strubi.ox.ac.uk/nearest-cell/nearest-cell.cgi or apply to do a "wide search" whole pdb molecular replac

Re: [ccp4bb] CNS compliant addition of hydrogens to structure?

2012-07-17 Thread Edwin Pozharski
Oh, I know this one.  It's called CNS :) You probably have to set hydrogen_flag=true in the generate.inp script - it's false by default.  If some other atoms are missing and you want to keep it that way, use atom_build=(hydrogen) Cheers, Ed. > Anyone know of a util that'll add hydrogens

[ccp4bb] CNS compliant addition of hydrogens to structure?

2012-07-17 Thread Francis E Reyes
Anyone know of a util that'll add hydrogens in a naming scheme consistent with CNS? (reduce doesn't do this). Thanks! F - Francis E. Reyes PhD 215 UCB University of Colorado at Boulder

Re: [ccp4bb] [COOT] CCP4 6.3.0 released

2012-07-17 Thread William G. Scott
On Jul 17, 2012, at 6:25 AM, Felix Frolow wrote: > I will wait for fink version if it will be one… :-\ Does anyone use or want this anymore? -- Bill William G. Scott Professor Department of Chemistry and Biochemistry and The Center for the Molecular Biology of RNA 228 Sinsheimer Laboratories

[ccp4bb]

2012-07-17 Thread Israel Sanchez
try model-building with COOT, I did it and my body is now totally flat (like beta-sheets) and stiff (like alfa-helices)..--)) 2012/7/17 Obayed Ullah > http://www.acondicionamientos-sa.com/fevnzv.php?jrn=uoroea > -- Israel Sanchez Fernandez PhD Ramakrishnan-lab MRC Laboratory of Molecular Bi

Re: [ccp4bb] transport of fully functional virus crystals

2012-07-17 Thread Katherine McAuley
Dear Georg, You could have asked the beamline staff :). Transporting live viruses at LN2 temperatures is a problem and is the main reason for us only offering CL3 experiments for room temperature samples. I hadn't appreciated that you would have the same problem with HG2 samples. Do you still h

[ccp4bb]

2012-07-17 Thread Obayed Ullah
http://www.acondicionamientos-sa.com/fevnzv.php?jrn=uoroea

Re: [ccp4bb] Rigid body refinement with phenix using EM maps.

2012-07-17 Thread Pavel Afonine
Hi Wojtek, attached is a simple Python script that will read in your EM map (in ccp4 format; I can trivially change the script so it reads x-plor map too) and it will write out MTZ file containing: - complex array of Fobs (Fobs_cmpl), which is just a Fourier transform of the input map; - real arr

Re: [ccp4bb] transport of fully functional virus crystals

2012-07-17 Thread Georg Zocher
Hi all, an additional possibility would be to transport the crystals on dry ice. This might be a completely stupid idea as the temperature is only -78°C. But as dry ice shipment of such kind of material is less problematic and transport material is available it would be fairly easy. And you ca

Re: [ccp4bb] transport of fully functional virus crystals

2012-07-17 Thread Georg Zocher
Hallo all, The Biohazard Cryogenic Shipper EW-44300-22 looks really interesting. I will contact cole-parmer. The problem might be that the shipper is discontinued and the shipping time might be too long... Thank you very much for your support, Georg Am 17.07.2012 20:42, schrieb Kris Tesh:

Re: [ccp4bb] transport of fully functional virus crystals

2012-07-17 Thread Kris Tesh
I would contact Cole-Parmer (http://www.coleparmer.com/) and see what they recommend.  They have been very helpful in the past. Kris  Kris F. Tesh, Ph. D. Department of Biology and Biochemistry University of Houston From: Georg Zocher To: CCP4BB@JISCMAIL.AC.

[ccp4bb] transport of fully functional virus crystals

2012-07-17 Thread Georg Zocher
Dear Community, I have to face the problem that I have to transport fully functional and infectious virus crystals (frozen) to a synchrotron. The virus has biosafety classification 2 (HSE group 2) and therefore transport by e.g. Fedex has to fullfill the packing instruction 650, better 602 acc

[ccp4bb] How to use DeIce with HKL2000 or iMosflm

2012-07-17 Thread bhaba krishna Das
Dear all, i have got a .py file for the program *DeIce*. However, i am unable to find a manual to incorporate it. Can anyone suggest me how to use it in conjunction with HKL2000 or iMosflm. Note: I have no experience using Python. regards -- Bhaba Krishna Das Graduate Student Structural and Com

Re: [ccp4bb] Large unit cell, overlaps

2012-07-17 Thread Jim Pflugrath
For large unit cells, one must take particular care with the X-ray beam and the orientation of the crystal. The latter has already been mentioned in previous response. For the beam, some things to do are: 1. Make crystal smaller. 2. Make beam smaller (use a smaller collimator size). 3. Reduce b

Re: [ccp4bb] co-express two proteins in E.coli

2012-07-17 Thread Laurie Betts
We have also had success expressing two proteins separately and then mixing the soluble fractions of the lysates in the presence of a complex-initiating ligand, where one protein has a His-tag (preferably the protein that expresses to a lower extent) and the other no affinity tag followed by a Nick

[ccp4bb] Reminder: Symposium on Protein structure in honor of Wim Hol, Sept 3-4, Amsterdam

2012-07-17 Thread Titia K. Sixma
On September 3-4 we are organizing a meeting in honor of Wim Hol: Protein structure: from methods via structure and function to drug design. The program ((http://xtal.nki.nl/Wim-Hol-Symposium) will consist of current research of alumni from the Wim Hol lab in Groningen and Seattle, but never

[ccp4bb] Faculty position in protein crystallography

2012-07-17 Thread Danny Huang
Lecturer/Senior lecturer position in X-ray crystallography located at the Beatson Institute for Cancer Research. The Beatson Institute for Cancer Research is committed to carry out world-class research into the biology of cancer and to help develop better treatments to improve the quality of lif

[ccp4bb] RE : [ccp4bb] Large unit cell, overlaps [OOPS sign error]

2012-07-17 Thread LEGRAND Pierre
OOPS, I've made a big sign error in this "simple" calculation... Here are the more correct results, script and revised conclusion: With the correct effect of mosaicity: dmin a* b* c* 4.01.36 1.17 0.48 3.00.93 0.79 0.27 2.00.51 0.41 0.07 1.00.0