Re: [ccp4bb] Strange diffraction image

2012-10-12 Thread Jan Dohnalek
Could be an organic crystal - what's the resoution of the lowest order reflections? Jan D. On Fri, Oct 12, 2012 at 8:11 AM, Chang Qing robie0...@gmail.com wrote: Hi, everyone: I just got some strange diffraction images from crystals with triangular pyramid shape. I think this should not be

Re: [ccp4bb] On maps and doubts

2012-10-12 Thread Jan Dohnalek
Have you got two very similar datasets (isomorphous) inbetween which the mentioned difference should be pronounced? You could try a cross-crystal difference map as well. Jan On Fri, Oct 5, 2012 at 8:40 AM, herman.schreu...@sanofi.com wrote: ** Dear Israel, I wonder why you do not see

Re: [ccp4bb] RE : [ccp4bb] Strange diffraction image

2012-10-12 Thread Chang Qing
Hi, Thanks for answering my question. I think I'd better provide more informations. These four images were taken from one crystals. The distance of image1-2 is 250mm, and image3-4 is 100mm. I checked more than 10 crystals and results were similar. The spots look very large. The lowest resolution

[ccp4bb] Vitamin B12 (cobalamin) geometry issues

2012-10-12 Thread Oliver Smart
If you are working on a protein that binds vitamin B12 (cobalamin) then you may be interested that there appears to be an issue with geometry of the B12 dictionary currently distributed by ccp4. The problem is that atom C19 in the corrin ring is defined as being SP2, planar with no hydrogen

Re: [ccp4bb] RE : [ccp4bb] Strange diffraction image

2012-10-12 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Chang, What makes you think spots from salt crystals should not be as large? You have got an ordinary small molecule crystal (or probably a cluster of them) in the beam, with a unit cell somewhat bigger than that of ice judging by the extra

[ccp4bb] EMBO Practical Course in “High throughput Protein Production and Crystallization

2012-10-12 Thread Dr. Isabel De Moraes
Dear All, We are happy to announce an EMBO Practical Course in “High throughput Protein Production and Crystallization” The overall aim of the course will be to review the state-of-the-art in HTP structural biology with an emphasis on methods to study complex targets, including membrane

[ccp4bb] NCS mask

2012-10-12 Thread Kiran Kulkarni
Dear CCP4 community, I have a MR solution with 2 mol/asu.  The solution looks very good in terms of packing (with reasonable starting R and Rfree) and there are no clashes with the symmetry-mates as well. But when I try to generate a solvent mask I get a truncated mask which covers only 1 and

Re: [ccp4bb] Fwd: [ccp4bb] RE : [ccp4bb] Strange diffraction image

2012-10-12 Thread Nicolas Foos
Dear Chang, i have seen ATP diffraction, it's not very different of your image. Maybe you have only ATP in your crystals? Best regard Nicolas Le 12/10/12 14:56, Chang Qing a écrit : Dear Tim I think your explanation is logical. But I tried ADP as ligand first and got crystals and

Re: [ccp4bb] Fwd: [ccp4bb] RE : [ccp4bb] Strange diffraction image

2012-10-12 Thread Chang Qing
Dear Nicolas ATP crystals is a reasonable answer. Thank you very much. Best regard Chang 2012/10/12 Nicolas Foos nicolas.f...@afmb.univ-mrs.fr: Dear Chang, i have seen ATP diffraction, it's not very different of your image. Maybe you have only ATP in your crystals? Best regard Nicolas

[ccp4bb] off-topic: detergents for the stabilisation of water-soluble proteins

2012-10-12 Thread Vitali Stanevich
Hi, Sorry for off-topic question. Does anyone have experience of the stabilisation of water-soluble proteins by detergents? Protein I'm working with is definitely water-soluble and has high yield, but, unfortunately, not very stable. Especially during concentration. So, we thought that adding

[ccp4bb] solubility estimates for domains/structures?

2012-10-12 Thread Tommi Kajander
Hi all, Does anyone a program/paper that would give some quantitative estimate for protein solubility based on surface property analysis? (excluding obvious things such as integral membrane / TM regions) Best Tommi

Re: [ccp4bb] off-topic: detergents for the stabilisation of water-soluble proteins

2012-10-12 Thread Das, Debanu
Hi, Yes, it is worth trying. Nonionic detergents can be good for this. One example I know of and readily comes to mind is the use of 0.1% NP40 (Noniondet P40) in the stabilization of murine reverse transcriptase during purification (also helps toprevent precipitation), first described in:

Re: [ccp4bb] solubility estimates for domains/structures?

2012-10-12 Thread Das, Debanu
Hi, Using a surface property analysis (3D structure is available), I think you can get a quantitative estimate by using PISA to find the solvent-accessible area and salvation energy and then comparing that to corresponding values obtained by using in your lab another protein for calibration

Re: [ccp4bb] off-topic: detergents for the stabilisation of water-soluble proteins

2012-10-12 Thread D Bonsor
The following paper (which can be found at www.wolfson.huji.ac.il/purification/PDF/Literature/Bondos2003.pdf Detection and prevention of protein aggregation before, during, and after purification. Sarah E. Bondos and Alicia Bicknell (2003) Analytical Biochemistry, 316, 223-231 contains a

Re: [ccp4bb] solubility estimates for domains/structures?

2012-10-12 Thread Tommi Kajander
Hi, Thanks, i was thinking of a situation where one can model the sequence to a structure based on homologous structures, ie assuming i know the fold - i guess PISA / ASA based estimates are the first thing. (mainly indeed the likelyhood to aggregate ie the surface property estimates are

Re: [ccp4bb] off-topic: detergents for the stabilisation of water-soluble proteins

2012-10-12 Thread R. M. Garavito
Vitali, Echoing what Dan said, I am not sure why you have chosen detergents first, as there are many other agents which stabilize proteins. Is the instability due to hydrophobic surfaces (e.g., made worse at higher salt) or not. Some non-detergent suggestions are: 1) diols like MPD (see

Re: [ccp4bb] CCP4 update 6.3.0 006

2012-10-12 Thread Ben Eisenbraun
On Mon, Oct 08, 2012 at 06:20:59PM +, Ronan Keegan wrote: Dear CCP4 Users, A CCP4 update has just been released, consisting of the following changes: Hi Ronan et al, The update client on OS X doesn't seem to like our installation and dies with: Can't make class cfol of alias