[ccp4bb] Re: [ccp4bb] Fwd: Regarding Sel-Met containing proteing crystallisation

2011-06-13 Thread tat cheung cheng
Or maybe a problem of oxidation? I had a Se-met crystal that could be crystallized and diffracted just like the native one, but only in the presence of the reducing agent (TCEP), no crystal otherwise. Tc 寄件人﹕ Frederic VELLIEUX 收件人﹕ CCP4BB@JISCMAIL.AC.UK 傳送日

Re: [ccp4bb] Fwd: Regarding Sel-Met containing proteing crystallisation

2011-06-13 Thread Frank von Delft
Don't forget to do seeding with the native crystals: it's often more about nucleation than growth. Phx Sent from tiny silly touch screen - Reply message - From: "Frederic VELLIEUX" Date: Mon, Jun 13, 2011 07:37 Subject: [ccp4bb] Fwd: Regarding Sel-Met containing proteing crystallisatio

[ccp4bb] Solvent channel volume measurement

2011-06-13 Thread Matthew BOWLER
Dear All, does anyone know of a program that can measure the volume or largest dimension of the solvent channels in crystals? Cheers, Matt. -- Matthew Bowler Structural Biology Group European Synchrotron Radiation Facility B.P. 220, 6 rue Jules Horowitz F-38043 GRENOBLE CEDEX FRANCE ==

Re: [ccp4bb] Solvent channel volume measurement [SEC=UNCLASSIFIED]

2011-06-13 Thread DUFF, Anthony
It may require some tricks, such as the creation of walls of CA atoms, but Kleywegt's FLOOD will give an answer in terms of number of water molecules. Anthony Duff -Original Message- From: CCP4 bulletin board on behalf of Matthew BOWLER Sent: Mon 6/13/2011 5:40 PM To: CCP4BB@JISCMAIL.A

Re: [ccp4bb] Fwd: Regarding Sel-Met containing proteing crystallisation

2011-06-13 Thread Marc Kvansakul
Dear Atul, Whilst finding Se-Met conditions you could always just phase with mercury if you are lucky enough to have an accessible free Cys residue or try NaI or I3C soaks. Always worth trying if you have readily reproducible crystals… Best of luck Marc From: atul kumar mailto:atulsingh21...

Re: [ccp4bb] Solvent channel volume measurement [SEC=UNCLASSIFIED]

2011-06-13 Thread Francois Berenger
On 06/13/2011 04:55 PM, DUFF, Anthony wrote: It may require some tricks, such as the creation of walls of CA atoms, but Kleywegt's FLOOD will give an answer in terms of number of water molecules. Some more tools are referenced here: http://hollow.sourceforge.net/ However, I did not tried them.

[ccp4bb] 3-year postdoc position at MRC Laboratory of Molecular Biology, Cambridge, UK

2011-06-13 Thread Murray Stewart
Postdoc opening at the MRC Laboratory of Molecular Biology, Cambridge, UK. Murray Stewart's Structural Cell Biology group at the MRC Laboratory of Molecular Biology in Cambridge is seeking a postdoctoral scientist (3-year Career Development Fellow position) to work on the structural basis of t

Re: [ccp4bb] Solvent channel volume measurement

2011-06-13 Thread Tim Gruene
Hallo Matthew, you can also mark the diameters with some atoms (e.g. water molecules in coot), cut them out and use moleman2 ("xyz align" to align the object and "stats" to get the radii of gyration) as a rough estimate. Tim On Mon, Jun 13, 2011 at 09:40:47AM +0200, Matthew BOWLER wrote: > Dear A

Re: [ccp4bb] XDS question

2011-06-13 Thread Marco Lolicato
Thank you to all! @Frederic > > I have a problem with the following sentence: > "if I collect all spots I get good map, but it is impossible to solve the > structure by molecular replacement" - if you have a good map (I assume > electron density map) then the structure is solved... for me a goo

Re: [ccp4bb] XDS question

2011-06-13 Thread Vellieux Frederic
"the space group is I422" "do you have any other suggestion?" Yes, how certain are you of the space group? For myself, I'm never entirely certain of the space group until I have solved the structure... I always keep in mind the other possibilities for space group assignment, if need be. And so

Re: [ccp4bb] About heavy atom split

2011-06-13 Thread Nat Echols
On Mon, Jun 13, 2011 at 9:48 AM, Dhanasekaran Varudharasu < dhana...@gmail.com> wrote: > We have solved one protein structure with barium as > a heavy atom using SAD technique. But in the final refinement one barium > site shows split. But the distance between the two posit

Re: [ccp4bb] About heavy atom split

2011-06-13 Thread Bernhard Rupp (Hofkristallrat a.D.)
Given that the water and the barium seem to have the same electron density on image electron…png I’d look careful at relative density levels, occupancies, B-factors etc. Often the situation becomes clearer during later stages of refinement. Peripherally, I also do not exactly understand the di

[ccp4bb] GTP Agarose Resin

2011-06-13 Thread Matthew Bratkowski
Hi. I was considering using GTP Agarose Resin for the final clean up step of the purification of a GTPase and was wondering if anyone has had experience using this resin. My main concerns are whether it actually has a decent binding capacity for GTP binding proteins, considering that endogenous G

Re: [ccp4bb] GTP Agarose Resin

2011-06-13 Thread Pascal Egea
Hi Matthew, Most GTPases required Magnesium to hydrolyze so you maybe able to reduce this by working in presence of EDTA and absence of magnesium. This may promote removal of traces of GTP or GDP ( from previous experience with SRP GTPases I would be more worried about residual GDP). Having EDTA a

[ccp4bb] "Small Angle X-ray Scattering (SAXS) Techniques for Macromolecules" Webinar

2011-06-13 Thread Angela Criswell
Dear colleagues, I would like to draw your attention to an upcoming free, educational webinar to be presented by Angela Criswell, Ph. D. titled "Small Angle X-ray Scattering (SAXS) Techniques for Macromolecules". Small angle X-ray scattering is a technique used to study dilute solutions of macr