Re: [ccp4bb] A question about Cys and fluoro benzene ring

2017-08-24 Thread CRAIG A BINGMAN
As others have suggested, it looks very much like a substitution at the fluorine position. I might add that high resolution electrospray mass spec should be very useful in this case, because I suspect that this adduct will survive sample preparation, and it would provide strong and orthogonal

Re: [ccp4bb] AW: [ccp4bb] Unknown positive electron density

2017-08-24 Thread Betty Chu
Thank you all for your replies and suggestions. I have fitted in some dummy waters as Herman suggested and this is the result after one round of refinement. The waters are positioned where there is highest electron density, but I am not sure how to move forward from here. https://cbsostorage.chem

[ccp4bb] Job opportunity

2017-08-24 Thread Brian Mark
Hello everyone, I’d like to draw your attention to a job posting in the Faculty of Science, University of Manitoba, Canada. We seek a technician to maintain and provide training on our X-ray diffraction and microscopy equipment in the faculty of science. Please use the URL below to access the

[ccp4bb] AW: [ccp4bb] A question about Cys and fluoro benzene ring

2017-08-24 Thread Herman . Schreuder
Dear Cheng, You could check whether you get irreversible inhibition with your compound, which could be a sign of a covalent link with the protein. Best, Herman Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Savvas Savvides Gesendet: Mittwoch, 23. August 2017 21:54 An: C

Re: [ccp4bb] refmac-extra-params

2017-08-24 Thread Paul Emsley
On 24/08/17 16:29, Dr A.A. Jalan wrote: I am trying to change the default refmac run parameters in coot. For this, I created a refmac-extra-params file in the directory from where coot is launched. (set! refmac-extra-params (list "MAKE HYDROGENS ALL" "REFI BREF ANIS")) You can set refmac-

[ccp4bb] refmac-extra-params

2017-08-24 Thread Dr A.A. Jalan
Dear all, I am trying to change the default refmac run parameters in coot. For this, I created a refmac-extra-params file in the director from where coot is launched. (set! refmac-extra-params (list "MAKE HYDROGENS ALL" "REFI BREF ANIS")) But these modification are ignored through the foll

[ccp4bb] Positions available to work with EMDB and EMPIAR; closing date: 27/8/2017

2017-08-24 Thread Ardan Patwardhan
Dear All We have two positions available to work with EMDB and EMPIAR which may be specifically of interest to those of you with a structural biology background and an interest in software development: EM Data Content Specialist and Scientific Programmer (https://www.embl.de/jobs/searchjobs/in

[ccp4bb] Reposting with link included - Postdoctoral position at Birkbeck

2017-08-24 Thread Gabriel Waksman
Link now included - apologies Postdoctoral Researcher – Cryo-Electron Microscopy and Cell Biology of Type IV Secretion Systems The ISMB at Birkbeck is seeking one Post-doctoral Research Assistant to carry out structural and cellular analysis of the Type IV Secretion Systems by cryo-electron to