[ccp4bb] AW: Differences in a homodimer protein

2017-11-28 Thread Herman . Schreuder
Dear Denis, I would first superimpose both monomers to see if you can find a reason why one subunit has a bound water and the other not, which would in general be flanking side chains in (slightly) different positions. Next I would look for some global differences between the subunits that

Re: [ccp4bb] looking for a link between diffraction resolution and order within the crystal

2017-11-28 Thread Oliviero Carugo
Dear Vincent, you might be interested in https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5314880/. Best, Oliviero On 28.11.2017 15:44, vincent Chaptal wrote: Hi, I've been searching but can't find what I am looking for so I thought I ask specialists. I am curious about the link between

Re: [ccp4bb] looking for a link between diffraction resolution and order within the crystal

2017-11-28 Thread Daniel M. Himmel, Ph. D.
Dear Vincent, The resolution limit of reflections is a consequence of the closest distances in the structure that are consistent repeating units in the crystal lattice. This is not automatically linked to any particular features of a structure per se. In addition, while some of the structural

Re: [ccp4bb] looking for a link between diffraction resolution and order within the crystal

2017-11-28 Thread Eleanor Dodson
Order is like the curate's egg good in part! To reach 1A say PARTS of your crystal must be very stable, biut it can stillbe rather On 28 November 2017 at 15:21, Matthew Merski wrote: > Hi Alexandre, > > I was curious if I could also get a copy of the illustrations if it wont

Re: [ccp4bb] Differences in a homodimer protein

2017-11-28 Thread Emilia C. Arturo (Emily)
I assume that somehow the two subunits are distinguishable despite their forming a "homodimer." Otherwise I don't know how you would know that it is always the same subunit that contains the water molecule. If they are truly distinguishable, then, the first thing that's come to mind is the

[ccp4bb] Differences in a homodimer protein

2017-11-28 Thread Denis Rousseau
Hi BB members I have a homodimeric protein, which contains metal centers. In several different derivatives I find a water molecule on a metal center in one subunit which is absent on the other. It is always the same subunit that contains the water molecule. The resulution is ~2.4 A. Is this

Re: [ccp4bb] looking for a link between diffraction resolution and order within the crystal

2017-11-28 Thread Eleanor Dodson
Order is like the curate's egg good in part! To reach 1A say PARTS of your crystal must be very stable, biut it can stillbe rather "sloppy" around the solvent boundary! Eleanor On 28 November 2017 at 15:21, Matthew Merski wrote: > Hi Alexandre, > > I was curious if I could

Re: [ccp4bb] looking for a link between diffraction resolution and order within the crystal

2017-11-28 Thread Matthew Merski
Hi Alexandre, I was curious if I could also get a copy of the illustrations if it wont be too much trouble? I was more curious about 0.0 - 4.0 Ang region if that saves you some effort. Thank you for this. Matthew Merski On Tue, Nov 28, 2017 at 4:12 PM, Alexandre Ourjoumtsev <

Re: [ccp4bb] looking for a link between diffraction resolution and order within the crystal

2017-11-28 Thread Alexandre Ourjoumtsev
Dear Vincent, first, certainly, you can continue to a higher resolutions distinguishing further details : 3.3 A - nucleic acid pairs 1.2 A - atomic details 0.9 A - deformation density (by the way, there was a relevant work, I think, by E.Blanc and G.Bricogne beginning of 2000, about

Re: [ccp4bb] 3D stereo and pymol

2017-11-28 Thread mesters
sorry, small correction, it should read "or a "new, see details" Quadro 5000with build-in*3-pin**.*" Am 28.11.17 um 15:40 schrieb mesters: Hi, yes, consumer cards do have OpenGL implemented on a chip but the Nvidia driver did not allow OpenGL 3D to work until February 2013. As of Nvidia

[ccp4bb] looking for a link between diffraction resolution and order within the crystal

2017-11-28 Thread vincent Chaptal
Hi, I've been searching but can't find what I am looking for so I thought I ask specialists. I am curious about the link between resolution limits of reflections on the detector, and what features are ordered in real space. I saw the great movie by James Holton on resolution and features in

[ccp4bb] Open postdoc position in protein crystallography at Lisbon, Portugal

2017-11-28 Thread Teresa Santos Silva
Dear all I'd like to draw your attention to the postdoc position in protein crystallography, currently open in my group at UCIBIO-NOVA (Faculty of Science and Technology, NOVA University of Lisbon, Portugal). I am a young PI interested in protein-ligand interactions for structural-based drug

Re: [ccp4bb] 3D stereo and pymol

2017-11-28 Thread mesters
Hi, yes, consumer cards do have OpenGL implemented on a chip but the Nvidia driver did not allow OpenGL 3D to work until February 2013. As of Nvidia driver version 314.07, Nvidia added OpenGL quad buffered 3D Stereo for GeForce cards (at least under MS Windows 7/8). However, this was never

[ccp4bb] Fwd: divulgacao bolsa, obrigada

2017-11-28 Thread Teresa Santos Silva
Dear all I'd like to draw your attention to the postdoc position in protein crystallography, currently open in my group at UCIBIO-NOVA (Faculty of Science and Technology, NOVA University of Lisbon, Portugal). I am a young PI interested in protein-ligand interactions for structural-based drug

Re: [ccp4bb] 3D stereo and pymol

2017-11-28 Thread Johannes Cramer
Hi Christine, as far as I know, it does not work at all with Geforce cards. The Nvidia drivers do not support windowed quad buffered GL, which you need for coot/pymol. It does not matter whether you use Windows or Linux. But this is based on my personal experience from around Oct. 2016. Maybe

[ccp4bb] Invitation to the Cryo-EM User Symposium, EMBL Heidelberg, 2nd February 2018

2017-11-28 Thread Christoph Mueller
Dear Colleagues, We would like to invite you to our Cryo-EM User Symposium on 2nd February 2018 at EMBL Heidelberg to inaugurate the new cryo-EM User facility housing FEI Titan Krios and Talos Arctica microscopes. The EMBL Heidelberg cryo-EM user facility will further increase access to