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

Dear Jon, in SHELX(L), you can name your atoms foo and bar, or jon and doe, if you like. The scattering factor is derived from the number next to the name. The name is just that, and identifier. Best, Tim On Monday, February 3, 2020 9:20:03 PM CET 0c2488af9525-dmarc- requ...@jiscmail.ac.uk

[ccp4bb] Refmac5 question

Dear all, I've got a Refmac5 question. When I refine my protein structure in Refmac5 with the options make hydrogen ALL and make hout yes, some of the hydrogen atoms in the output file have zero occupancies. At a first glance, only the the H-atoms attached to OG1 of Ser, ND2 of Asn, and NE2 o

Re: [ccp4bb] Refmac5 question

> On 4 Feb 2020, at 09:24, Joern Krausze wrote: > > These hydrogen atoms were present in the input file with their occupancies > matching that of the residues they are attached to. What happens with make hydrogen YES? That should keep all hydrogens present in the input file (http://www.ccp4.

Re: [ccp4bb] Refmac5 question

Hi Joern, The logic behind it this is that those are hydrogen position that are uncertain due to possible flips and free rotation (tyr, thr, ser). You should probably only set these occupancies to 1.00 after you have studies the local hydrogen bonding network. Cheers, Robbie > -Original

[ccp4bb] Marie Curie fellowships hosted at the Arctic University of Norway

Dear crystallographers et al, UiT the Arctic University of Norway sponsors applicants for Marie Skƚodowska-Curie individual fellowships hosted in Tromsø, Norway, including the Norwegian Structural Biology Center. Applicants chosen for sponsorship will be invited to an application writing semina

[ccp4bb] Structural biology - PhD positions available

Hi everyone, I have two PhD. positions available in my newly established lab at the Central European Institute of Technology (CEITEC) Masaryk University in Czech Republic. We are seeking students who are interested in determining structures of coupled transcription-translation complexes using c

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

Thanks, sorry, shelx is wonderful! I was thinking back to shelxpro days when your hetero-atoms could acquire the wrong scattering factors if they were not positioned right in the pdb file. The classic, which I saw several times, was calcium (CA) being treated as an alpha-carbon (CA), and I think re

[ccp4bb] PhD student position at CBI/IGBMC Strasbourg

Ph.D. student position in cryo-electron tomography A PhD position is available in Mikhail Eltsov’s team at the CBI/IGBMC to study chromatin structure-based mechanisms of epigenetic silencing (http://www.igbmc.fr/igbmc/recrutement/job_offer/505/). IGBMC - Offre d'emploi PHD

[ccp4bb] Crystallography position at Evotec in the Structural Biology group

Dear CCP4 community, This is just a refresher, we are still looking to recruit 4 crystallographers. Evotec (UK) Ltd is currently seeking to add to our Structural Biology Department. The group works closely with our Discovery Chemistry Department and with clients to develop novel small molecu

[ccp4bb] Macromolecular Crystallography workshop in South America 2020

Dear colleagues, We are pleased to announce the 8th South American Macromolecular Crystallography School: Macromolecular Crystallography School 2020 "Structural Biology to enhance high impact research in health and disease” To be held at the Institut Pasteur de Montevideo (Uruguay) - Septem

Re: [ccp4bb] Macromolecular Crystallography workshop in South America 2020

?It is great that this workshop is occurring but I couldn't help but notice that there seem to be a lot of male speakers and tutors. I was wondering if it might be appropriate to add some female role models. There are some great candidates? From: CCP4 bulletin

Re: [ccp4bb] Macromolecular Crystallography workshop in South America 2020

Thank you for your comment, we cannot agree more. We are aware of this, and still are in the process of inviting a few more speakers. We shall thus bring more women on board, and achieve a balanced group! Cheers, Alejandro (on behalf of the organizers) El 4 feb. 2020, a la(s) 22:02, Edward