[ccp4bb] Postdoctoral position at the University of Oklahoma

2020-02-03 Thread Thomas, Leonard M.
I am posting this a faculty member here. Please address any questions to her. Postdoctoral position available immediately in Singh Group at OU. Biochemist or Structural Biologist: Seeking a highly motivated postdoc with experience in one or more biochemical techniques involving cloning, protein

Re: [ccp4bb] refinement of 0.73A data in shelxl

2020-02-03 Thread 00000c2488af9525-dmarc-request
Remembered earlier that if the "CL" is not shifted one place to the left, Shelx and probably most other programs treat it as carbon, i.e. its assumed to have 6 rather than 17 electrons. Trust occupancies OK, too ;-?Jon CooperOn 3 Feb 2020 18:26, "Barone, Matthias" wrote: Hi Pavel glad you wr

Re: [ccp4bb] refinement of 0.73A data in shelxl

2020-02-03 Thread Barone, Matthias
Hi Pavel glad you write me. I was hoping you would read my post. - Yes, protons are added, both on the protein as well as on the molecule - I initially only refined protein and ligand anisotropically, now Im running a refinement with all atoms anisotrp except Hs. This would then also be the sam

Re: [ccp4bb] refinement of 0.73A data in shelxl

2020-02-03 Thread Pavel Afonine
Hi Matthias, did you use correct model parameterization and optimal refinement strategy for the resolution? Such as: - Add H atoms; - Refine all but H atoms with anisotropic ADPs; - Model alternative conformations (that one'd expect many at this resolution); - Add solvent (water, crystallization c

[ccp4bb] PhD opportunities in host-pathogen interactions and cryo-EM method development

2020-02-03 Thread Arjen Jakobi - TNW
Dear all, we have two 4-year PhD opportunities in our lab at the Department of Bionanoscience, Kavli Institute of Nanoscience at Delft University of Technology. Opportunities exist both for candidates with an interest in structural, functional and biophysical studies of host-pathogen interacti

Re: [ccp4bb] Protein fold and the moonlighting function

2020-02-03 Thread Emmanuel Saridakis
I believe this is more than a fluke. It looks to me like a very powerful evolutionary tool which may have rendered the early stages in the evolution of life less improbable. Best wishes, Emmanuel Saridakis - Original Message - From: "Peter Stogios" To: "CCP4BB" Sent: Monday, 3 Februar

Re: [ccp4bb] refinement of 0.73A data in shelxl

2020-02-03 Thread 00000c2488af9525-dmarc-request
Hello, sorry if this is a really obvious question, but have you used the ANIS option? I remember it is good at cleaning-up difference density around halogen atoms that sort of resolution.Jon CooperOn 3 Feb 2020 11:08, "Barone, Matthias" wrote: Dear ccp4 community Im having some problems solvin

Re: [ccp4bb] refinement of 0.73A data in shelxl

2020-02-03 Thread Bernhard Rupp
Maybe the figures were just contoured odd...but my recollection of a good 0.8 A map appearance is differentwhich might be consistent with the high Rf...a look at the high res data or images/stats might help? Best, br On Mon, Feb 3, 2020, 14:58 George Sheldrick wrote: > Dear Matthias, > > >

Re: [ccp4bb] refinement of 0.73A data in shelxl

2020-02-03 Thread George Sheldrick
Dear Matthias, That is very strange. First please repeat the shelxl refinement with the occupancy of the offending chlorine(s) in the .ins file changed from 11  (i.e. fixed at 1.0) to 1.0 (i.e. freely refined starting from 1.0). If that does not help I would be happy to look at it in confiden

[ccp4bb] Postdoc position available in Single Particle CryoEM or Cryo-ET, Southern University of Science and Technology, China

2020-02-03 Thread Huawei Zhang
Dear colleagues, We are looking for motivated postdoc researchers to work in the field of osteoarthritis and exosome biogenesis using Single Particle CryoEM or Cryo-ET in Dr. Daping Wang and Dr. Huawei ZHANG’s lab. By a combination of structural biology, cell biology, biochemistry and biophysics,

[ccp4bb] Postdoc Research Associate positions at Imperial College London

2020-02-03 Thread Wilkinson, Martin
Two Post-doctoral Research Associates Imperial College London Reference: MED01520 Closing date: 27 February 2020 We are recruiting two Research Associates in the Section of Structural Biology at South Kensington in the research group of Professor Dale Wigley: (https://www.imperial.ac.uk/people/

Re: [ccp4bb] refinement of 0.73A data in shelxl

2020-02-03 Thread Eleanor Dodson
The maps look beautiful, but maybe the high resolution data is refining poorly. Not sure how to do this with phenix or SHELX but REFMAC gives you a plot of and v resolution. You sometimes see wild divergence in some resolution shells. Looking at Rfactors v resolution can also highlight such probl

[ccp4bb] postdoc position in the Svergun group, EMBL Hamburg, P12 beamline

2020-02-03 Thread Clement Blanchet
Postdoctoral Fellow - Methods development for biological anomalous scattering https://www.embl-hamburg.de/jobs/searchjobs/index.php?ref=HH00182&newlang=1&loc[]=3 https://www.embl-hamburg.de/jobs/searchjobs/index.php?ref=HH00182&newlang=1&loc[]=3 The European Molecular Biology Laboratory (EMBL)