[ccp4bb] AW: [ccp4bb] Translational NCS and molecular replacement.

2014-07-16 Thread Herman . Schreuder
Dear Sudipta, you are correct, your original scala.mtz has the wrong space group in it, resulting in very high Rfactors (and presumably bad electron density). In these cases, I usually reprocess (remerge) the data in the correct space group to get the statistics right (and gain probably a few

Re: [ccp4bb] Translational NCS and molecular replacement.

2014-07-16 Thread Vajdos, Felix
Dear Sudipta— Herman is correct, you just need to reindex your scala.mtz file to the correct space group. Regarding translational NCS, it has been many years since I’ve dealt with this, but it is my impression that modern refinement methods treat this much better, especially with maximum

[ccp4bb]

2014-07-16 Thread Natalie Collett
Please can you remove me from the mailing list. Thank you Natalie Collett Communications Officer Instruct: Integrating Structural Biology, Wellcome Trust Centre for Human Genetics, University of Oxford, Roosevelt Drive, Headington OX3 7BN, UK Tel: +44 1865 287711 email:

Re: [ccp4bb] Acorn, CRANK

2014-07-16 Thread Marcin Wojdyr
On Mon, Jun 30, 2014 at 09:42:43PM -0500, Maher Alayyoubi wrote: Hi everyone, I have two questions: 1- I was trying to run the program Acorn, on a SAD dataset (Se derivative) that was scaled in scalepack/HKL2000. converted to .mtz using scalepack2mtz, then edited in REVISE and Ecalc. But

[ccp4bb] Salt!

2014-07-16 Thread Bishop, Catherine E.
I have been attempting to obtain a protein crystal of my protein for just over 2 years at this point. We have attempted removing the tag, binding the protein to its ligand, removing as much salt as possible (crashes at at too low a salt concentration)--this lead us to try reverse vapor

Re: [ccp4bb] Salt!

2014-07-16 Thread Chris Fage
Hi Catherine, If they are indeed salt crystals, have you tried preparing different truncations of the gene encoding your target? I've seen a number of successes in which, after a codon or two was added to the termini of the gene being overexpressed, the target crystallized beautifully. Best,

Re: [ccp4bb] Salt!

2014-07-16 Thread David Briggs
Hi Catherine, What buffer salt do you have your protein in when you set up screens - maybe this is leading to your salt crystal issues? How long does it take for the salt crystals to appear? Have you tried setting up trays at different temperatures? Microbatch crystallisation under oil?

Re: [ccp4bb] Salt!

2014-07-16 Thread Jon Agirre
Hi Catherine, first of all, I'm sorry that you're feeling so frustrated. In addition to the many sensible suggestions that you're surely going to read here, I would like to point you to a paper I read a while ago in Nature: In situ proteolysis for protein crystallization and structure

Re: [ccp4bb] Salt!

2014-07-16 Thread Edward Snell
Hi Catherine, At the Hauptman-Woodward Medical Research Institute High Throughput Crystallization Screening laboratory we've just introduced SONICC and UV two photon fluorescence into the imaging process. I don't think it's been announced on the website

[ccp4bb] PISA server @ CCP4

2014-07-16 Thread Eugene Krissinel
Dear All, CCP4 releases new PISA web-server at the following URL: http://www.ccp4.ac.uk/pisa . As always, constructive criticism, bug reports and feature requests are welcome. Enjoy! Eugene Krissinel. -- Scanned by iCritical.

[ccp4bb] Assistant Professor Position Open

2014-07-16 Thread Ming Luo
A position is open for an Assistant Professor in the School of Chemical Biology and Biotechnology, Peking University Shenzhen Graduate School. Currently SCBB has structured its research and postgraduate education efforts around four major units: Key Laboratory of Chemical Genomics, Laboratory