[ccp4bb] HDX data representation

2017-11-13 Thread Nicholas Larsen
Dear Colleagues, We recently acquired HDX data on a target, which basically gives us %change per residue over the entire primary sequence. Is there a simple way to reassign the B-factor column of my PDB with those %change numbers so I can then easily color the molecular surface? I hope the

Re: [ccp4bb] High R/Rfree

2017-11-13 Thread Pavel Afonine
Hi Radhika, R-factor value is almost useless unless you know the resolution (which you did not tell us): 26% is ok for 3A resolution and is nonsense for 1A, for example. The Rfree-Rwork gap is obviously large, suggesting sub-optimal refinement strategy. Try optimizing weights, let program update

[ccp4bb] High R/Rfree

2017-11-13 Thread Radhika Singh
Hello All, I am currently working on the structure of a DNA protein complex. The data has been processed in space group P1 (53.042 59.527 78.526 105.24 98.03 106.99 P 1, Rpim 11.7%). At this stage I have almost 85% model is complete but my R/Rfree is stuck as 26%/34%. I have some concerns

Re: [ccp4bb] What is the easiest/cheapest way to obtain a library of proline derivatives?

2017-11-13 Thread Tristan Croll
I take it you mean for some semisynthetic approach? One solution that springs to mind would be to get one or both of the azide/alkyne “click” proline derivatives (e.g. http://www.sigmaaldrich.com/catalog/product/aldrich/713643?lang=en=GB or

[ccp4bb] What is the easiest/cheapest way to obtain a library of proline derivatives?

2017-11-13 Thread Jan van Agthoven
Sorry for being a bit off-topic, but I’m looking to transform the catalytic properties of a protein I’m working on by adding an aromatic moiety on one of its prolines. However none of the proline derivatives I find commercially are really interesting. Does anyone know what would be the cheapest

[ccp4bb] Open position for a specialist in biological X-ray techniques (SAXS, X-ray diffraction, crystallisation)

2017-11-13 Thread Vellieux Frédéric
Dear all, Could you pass the following announcement on to suitable candidates (including yourselves, of course) ? Thank you. Fred. Vellieux Fred. Vellieux (Ph.D., HDR) Centre of Molecular Structure Institute of Biotechnology Czech Academy of Sciences, BIOCEV Prumyslova 595 252 50 Vestec Czech

[ccp4bb] Postdoctoral position at Washington University in St. Louis

2017-11-13 Thread Li, Weikai
Applications are invited for a joint postdoctoral position in the Department of Biomedical Engineering and the Medical School of Washington University in St. Louis. Washington University has a tradition of excellence in medical science and a stimulating academic environment. Weikai Li and

[ccp4bb] AW: [ccp4bb] AW: Re: [ccp4bb] Basic Crystallography/Imaging Conundrum

2017-11-13 Thread Herman . Schreuder
Dear Jacob, The big advantage of microscopes (whether using electrons or X-rays) is of course that you 1) do not need crystals and 2) get phase information. However, aligning an extremely large number of single molecule images is non-trivial and this is the reason it is still very hard, if not

Re: [ccp4bb] Final reminder - CCP4 Study Weekend 2018 - Early bird deadline coming up on 19 November 2017 (this Sunday)

2017-11-13 Thread Karen McIntyre
Please note that the Early bird deadline for the forthcoming CCP4 Study Weekend in January 2018 is 19th November 2017 i.e. this Sunday. After this date, no standard student bursaries will be available and the registration fee will increase from £240 to £290. Register now before it's too late!