[ccp4bb] PostDoc position in time-resolved crystallography

2023-03-31 Thread Schulz, Eike-Christian
Dear all, There is an opening for a PostDoc position in my group. Funding is generously provided by an ERC Synergy Grant for the DynaPLIX project, wherein we aim to understand the dynamics of protein ligand interaction via an integrative approach combining NMR-spectroscopy (Mikael Akke, Lund

[ccp4bb] Postdoc and PhD positions in time-resolved crystallography

2022-09-29 Thread Schulz, Eike-Christian
Dear all, Since July 1st I have started a tenure track group leader position at the University medical center (UKE) in Hamburg, with my lab located directly at the DESY campus. Funding is generously provided by the BMBF program junior research groups in infection research

[ccp4bb] off-topic: experience BioRad NGC vs Aekta Pure

2022-09-16 Thread Schulz, Eike-Christian
Dear all, I am considering to purchase a chromatography system for routine protein purification. The device is supposed to be used in a multi-user environment, hence ease of use, ease of training and ease of maintenance is important. I am rather looking for a robust system people like to use

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-09 Thread Schulz, Eike-Christian
Dear Paul, sorry for the delay. I did not answer your previous questions in detail, because going back to coot 0.8 did solve the problem for me, which kept me busy. But of course, to do sth. about the situation you need to understand a lot better what is going on. What I have is a

Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-07 Thread Schulz, Eike-Christian
x. Paul. [1] it was seeing that Tristan had added to ISOLDE something like the tool I had intended that that actually made me write it for Coot [2] - it is a useful technique when shoving around domains in cryo-EM. [2] That and watching Blender tutorials. On 04/0

Re: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] AW: Going back to Coot 0.8

2020-09-04 Thread Schulz, Eike-Christian
. In many > cases I do not real-space refine and leave it to Buster to do the refinement. It would be very good if the old behavior could be reinstalled. > > Best regards, > > Herman > > *Von:*CCP4 bulletin board *Im Auftrag von > *Schul

[ccp4bb] Going back to Coot 0.8

2020-09-04 Thread Schulz, Eike-Christian
Dear Paul, I have been working with coot for over 10 years now with little reason to complain. However, in spite of trying for a few months now, I am not getting warm with coot 0.9. I like the new eye-candy, and the more organized menus. But fitting residues and ligands into ED, has never

[ccp4bb] coot scripting advise for beginners

2020-05-13 Thread Schulz, Eike-Christian
Good evening, I am looking for some advice wrt. coot scripting. Unfortunately, I have never done it, and I have to admit I did not find the ccp4-wiki particularly helpful to get started - but that is certainly linked to my generally very limited scripting experience. What I have in mind seems

[ccp4bb] SFALL change (?) affecting END_RAPID ?

2020-01-29 Thread Schulz, Eike-Christian
Dear all, Yesterday, I have updated to the most recent version of CCP4. Today the END_RAPID scripts give me following error message: […] Optimize H/D positions using phenix.geometry_minimization phenix.geometry_minimization "/bla/refined.updated.pdb" use_neutron_distances=False

[ccp4bb] ECM32 Satellite workshop on fixed-target serial crystallography

2019-06-07 Thread Schulz, Eike-Christian
Dear all, We would like to bring to your attention that there will be a satellite workshop on the ECM32 focusing on fixed-target serial crystallography. As there are only a limited number of places available, please register as soon as possible. If you would like to present a poster please

[ccp4bb] wanted: Hampton Research Glucose Isomerase Crystals

2018-12-04 Thread Schulz, Eike-Christian
Dear all, For a comparative experiment we are looking for the glucose isomerase crystals Hampton Research used to sell:

Re: [ccp4bb] using CC1/2 to define resolution limit in Xscale

2017-10-27 Thread Schulz, Eike-Christian
The ideas was to cut all datasets at say 30% CC1/2 to see how they differ in resolution I/sigI etc. for that given CC1/2 … From: Eleanor Dodson <eleanor.dod...@york.ac.uk> Date: Friday, 27. October 2017 at 23:12 To: "Schulz, Eike-Christian" <eike.sch...@mpsd.mpg.de> Cc:

[ccp4bb] using CC1/2 to define resolution limit in Xscale

2017-10-27 Thread Schulz, Eike-Christian
Dear all, I would like to compare > 15 datasets and would like to use a common CC1/2 value as an objective criterion to determine the resolution cut-off. All data were integrated in XDS. Is there a convenient way to apply this in XSCALE or in any of its alternatives? With best regards, Eike

[ccp4bb] Lysozyme soaked with GlcNac?

2017-02-20 Thread Schulz, Eike-Christian
Dear all, There are several structures in the PDB that show Lysozyme (mutants) in complex with GlcNac (or similar compounds). However, all of those structures seem to originate from co-crystallization experiments. I was wondering whether anybody knew a successful case of complex formation by

[ccp4bb] structure determination from a hollow crystal

2016-11-29 Thread Schulz, Eike-Christian
Dear all, Is there a documented case of a structure determination from a hollow crystal? We have the unfortunate situation that a protein only crystallizes as a hollow tube, where the inside is filled with solvent, which ruins the diffraction patterns. I was often confronted with similar

[ccp4bb] edit CBF file header

2016-07-10 Thread Schulz, Eike-Christian
Dear all, I am looking for a tool, which allows me to edit the header of CBF-files. In a large set of files (~175K) the beam-centre is put incorrectly and I would prefer a fairly automated way. I know that XDS et al. can correct for this but my problem is posed differently. I was considering