Re: [ccp4bb] Alexey Vagin

2023-03-27 Thread Stefan Arold
Dear Eugene Thanks for sharing the sad news. Alexey was a wonderful person and huge help for setting up our MorDA-powered Contaminer server. a big loss for the community! Stefan Stefan T Arold, Professor of Bioscience Associate Dean, Division of Biological and Environmental Sciences and Engin

Re: [ccp4bb] ContaMiner server down?

2021-12-05 Thread Stefan Arold
Dear Julian thank you for pointing out that our server had problems! We have now fixed them and jobs should run as usual. Please let me know if any problems persist. Thanks for using ContaMiner! With best wishes Stefan On Sat, 4 Dec 2021 at 21:27, Julian Nomme wrote: > Hi all, > > I sent several

[ccp4bb] Post-doctoral position in cryo-EM/structural biology of multiprotein signalling complexes

2020-02-20 Thread Stefan Arold
Dear Colleagues, If you are looking for a Post-Doc position in place where you don’t have to wait for weeks to measure on a TITAN KRIOS equipped with a direct detector and phase plate, then please consider the position that I have currently available in my group for an EM-savvy structural biolog

[ccp4bb] Faculty position in Structural Biology—Cryo-Electron Microscopy

2019-10-22 Thread Stefan Arold
Dear Colleagues, If you are looking for a place where you don’t have to wait for weeks to measure on a TITAN KRIOS equipped with a direct detector and phase plate, then please consider our opening for EM-savvy faculty at KAUST. KAUST, founded in 2009, is located at the shores of the Red Sea i

Re: [ccp4bb] new ContaMiner features

2017-11-27 Thread Stefan Arold
is absolutely right, it would > >> have > >> > >>>> been > >> > >>>> nice to raise such issues first with the developers. In my > >> experience, > >> > >>>> Staraniso does a fantastic job if used correctly. &

Re: [ccp4bb] new ContaMiner features

2017-11-24 Thread Stefan Arold
uld only teach people to do their job (or train their robots) > properly. > > >>>> > > >>>> Best wishes, > > >>>> > > >>>> Radu > > >>>> > > >>>> -- > > >>>&g

[ccp4bb] new ContaMiner features

2017-11-23 Thread Stefan Arold
Dear Community, A quick message to announce the following two new features on our ContaMiner web server for the automated detection of unwantedly crystallised contaminants ( https://strube.cbrc.kaust.edu.sa/contaminer/submit) 1) online visualisation of 2FoFc and FoFc maps. In cases of positive re

Re: [ccp4bb] Accidental crystallization of E. coli protein

2017-04-05 Thread Stefan Arold
Hi Mohamed, I don't recall such a case of a crystallized proteolytically cleaved contaminant (see our recent summary of contamination cases http://scripts.iucr.org/cgi-bin/paper?ei5009 , and references therein). I would certainly recommend depositing the data at the PDB - it may help others address

[ccp4bb] Post-doctoral position in cryo-EM/structural biology of multiprotein kinase signalling complexes

2017-01-10 Thread Stefan Arold
Required skills*: Experience in protein expression, purification and characterization; Expertise in structural methods, in particular cryo-EM and X-ray crystallography. A high level of motivation and the ability to work as part of a team are essential. *Location:* Group of Stefan Arold at th

[ccp4bb] De-ContaMinated

2016-12-17 Thread Stefan Arold
Dear Crystallographers, Just a quick message to thank all those who have contributed suggestions and protein contaminants for our protein contaminant *ContaMiner & ContaBase* web server and database ( https://strube.cbrc.kaust.edu.sa/contaminer). Thanks to this community effort we have now 65 con

Re: [ccp4bb] Modeling protein tertiary structure

2016-12-10 Thread Stefan Arold
Dear Myeongseon, my favourites are SwissModel (especially good for modelling close homologues, since it keeps conserved side chains & backbone as in the template; very fast (5-50 min), nice interactive user interface) RaptorX (good for more remote homologues too, also gives you secondary structure

Re: [ccp4bb] FW: [ccp4bb] Fwd: [ccp4bb] just out of totally idle curiosity ...

2016-11-09 Thread Stefan Arold
US elections, UK BREXIT, Colombia referendum . . . if you are fed up with democracy, consider kingdoms. Middle East is still investing into science, technology and education! Cheers, Stefan On 9 November 2016 at 16:22, Noam Adir wrote: > Dear Ian, > > > > I have always thought that this saying

[ccp4bb] off topic: which robust sealed tube in-house x-ray system?

2013-03-26 Thread Stefan Arold
Dear All, I am looking for a sealed tube in-house X-ray system that can (almost literally) withstand sandstorms. The system should be largely maintenance-free, robust to infrequent use and humid climate, with intuitive and simple piloting software. It should allow both, rapid screening and collecti

Re: [ccp4bb] difficult MAD dataset

2009-01-30 Thread Stefan Arold
Dear Alison, Christian Dumas of our institute has recently developed and published a program for HA detection. Being extremely powerful, and easy to use (http://www.cbs.cnrs.fr/SP/crystal/SUPERFLIP/), it has produced very precise HA positions for datasets that no other program could treat previou

Re: [ccp4bb] Domain swapping..... and unswapping.

2007-10-05 Thread Stefan Arold
Dear Miriam I had that case of the 4-helix bundle FAT domain of Focal Adhesion Kinase. It crystallised as a helix-swapped dimer (PDB ID 1k04, 1mol/ASU), as a non-swapped 4helix bundle (1ow7, 3 mol/ASU), and as a hybrid, where 2 mols / ASU were not swapped, and one was swapped (1ow6). With be

Re: [ccp4bb] Refining alternate ligand/autoinhibition

2007-05-08 Thread Stefan Arold
arent appropriate here and may be muddling things up. On the other hand you shouldnt get any repulsion between pairs of atoms whose added occupancy is <= to 1.0 Is that always the case for your 2 scenarios? Try removing the A and B flags and see if that is better. Eleanor Stefan Arold wrote

[ccp4bb] Refining alternate ligand/autoinhibition

2007-05-08 Thread Stefan Arold
Dear All, I am having trouble refining a difficult case of alternate structures in REFMAC. In the crystal, two states superimpose: 1) Apo-protein with its own auto-inhibitory tail fixed into the ligand binding site and 2) Peptide-bound protein, where the peptide has displaced the auto-inhibit