[ccp4bb] 3-year BBSRC-funded Postdoc Position - structural studies on an inter-MT bridge complex - correction!

2014-07-01 Thread Bayliss, Richard W.A. (Prof.)
A postdoctoral research post is available within my research group in the Department of Biochemistry at the University of Leicester. The position is funded by the Biotechnology and Biological Sciences Research Council and is available from 1st September 2014 for three years. The aim of the proj

Re: [ccp4bb] Lysine coordinated ions

2014-07-01 Thread Nat Echols
On Tue, Jul 1, 2014 at 3:10 PM, Katherine Sippel wrote: > My google-fu has failed me once again so I am turning to the collective > knowledge of the bb. I'm working on a blobology challenge at the moment and > have hit a wall. Is anyone aware of an ion that coordinates to lysine and > prefers oct

Re: [ccp4bb] Lysine coordinated ions

2014-07-01 Thread Keller, Jacob
>… I manually attempted chlorine but the density said no. How did the density say no? Too much, too little…? I guess the bonds are too short anyway. What about anomalous signal using the awesomely-sensitive LLG maps from Phaser? Depending of course on resolution, Cl- can be quite visible, if orde

[ccp4bb] Biosynthesis Postdoctoral Fellow - Vancouver, Canada

2014-07-01 Thread Katherine S. Ryan
We are seeking highly motivated postdoctoral fellows to join the Biosynthetic Enzymes Laboratory at the University of British Columbia in Vancouver, Canada (https://www.chem.ubc.ca/katherine-ryan). We are a dynamic group of researchers working at the interface of chemistry and biology. Our goal

[ccp4bb] Lysine coordinated ions

2014-07-01 Thread Katherine Sippel
Hi all, My google-fu has failed me once again so I am turning to the collective knowledge of the bb. I'm working on a blobology challenge at the moment and have hit a wall. Is anyone aware of an ion that coordinates to lysine and prefers octahedral geometry. The mystery ion seems to have perfect o

[ccp4bb] 3-year BBSRC-funded Postdoc Position - structural studies on an inter-MT bridge complex

2014-07-01 Thread Bayliss, Richard W.A. (Prof.)
A postdoctoral research post is available within my research group in the Department of Biochemistry at the University of Leicester. The position is funded by the Biotechnology and Biological Sciences Research Council and is available from 1st September 2014 for three years. The aim of the pro

Re: [ccp4bb] Buried surface area calculation..

2014-07-01 Thread Tim Gruene
Dear Gajanan, areaimol analyses the solvent accessible areas. It is part of ccp4, so it comes with a window. Best, Tim On Wed, Jul 02, 2014 at 12:19:50AM +0530, Gajanan Arbade wrote: > Hello, > > Am working with some DNA binding proteins. If I want to calculate the buried > surface area, whic

[ccp4bb] Buried surface area calculation..

2014-07-01 Thread Gajanan Arbade
Hello, Am working with some DNA binding proteins. If I want to calculate the buried surface area, which software tools should i use? Suggest me some windows based programs to solve my purpose. Thank you & Regards, Gajanan __ Gajanan K Arbade Research

[ccp4bb] New Mac Pro's for crystallography

2014-07-01 Thread Anirban Banerjee
Dear all, Sorry for the off-topic post but would anyone here have any experience with the new MacPro's for crystallography including using them for stereo (passive) ? If so, would you mind sharing your thoughts and the hardware configurations ? Thanks very much. Best regards, Anirban

Re: [ccp4bb] Selenomethionine crystals

2014-07-01 Thread Tim Gruene
Dear Maher, as far as I understand, the anomalous scattering comes from inner shell electrons, not the valence electrons. So while you might notice a slight shift in the peak wavelength, the strength of the signal will only reduce if you crystal order suffered over time, but not from any oxidation

Re: [ccp4bb] New Version of the Protein Geometry Database Now Available

2014-07-01 Thread Keller, Jacob
I think the ref below may be exactly what I am looking for--thanks everyone for your help. Even when the tips were not exactly what I needed, I learned about many tools out there which I may use some day. Generally, I am always impressed by the collegiality and readiness-to-help of all of those

[ccp4bb] Selenomethionine crystals

2014-07-01 Thread Maher Alayyoubi
Hi everyone, Would anyone know for how long Selenomethionine derivative crystals are good if kept in plate at RT. In other words, would SE loose its scattering properties due to oxidation over time? I have SElmet crystals that have been lying in a plate for 2 months by now so I was wondering if th

Re: [ccp4bb] Metal ion differentiation - reg

2014-07-01 Thread CAVAZZA Christine 202795
You should try X-ray fluorescence measurements on your crystals You'll see directly the presence of Zn or Ni You can also perform a data collection at energies at both sides of max f" for Zn and Ni. - Christine Cavazza iRTSV/Laboratoire de Chimie et Biologie des Métaux CEA Grenoble 17 rue des

Re: [ccp4bb] Metal ion differentiation - reg

2014-07-01 Thread Tim Gruene
Dear Dhanasekaran Varudharasu, you won't be able to distinguish between these two metals with CuKa radiation. You should get access to a synchrotron and collect data 1.4A and 1.25A in addition to the CuKa set you already have (see http://skuld.bmsc.washington.edu/scatter/AS_form.html). The CuKa

Re: [ccp4bb] Metal ion differentiation - reg

2014-07-01 Thread Dom Bellini
Dear Dhanasekaran, I am not sure from your email whether is important for you to resolve this ambiguity with crystallographic techniques. If not, an easy and simple way would be to shoot your crystals at energies above the Zn absorption edge (which is at highest energy of the two metals) and th

Re: [ccp4bb] Metal ion differentiation - reg

2014-07-01 Thread Steiner, Roberto
If you have a access to a synchrotron you can try double difference anomalous DDANO maps see Than et al. Acta Cryst. (2005). D61, 505–512 for an example Best Roberto On 1 Jul 2014, at 16:10, Dhanasekaran Varudharasu mailto:dhana...@gmail.com>> wrote: Dear all, I have solved a s

Re: [ccp4bb] Metal ion differentiation - reg

2014-07-01 Thread Eleanor Dodson
It is difficult! Ni & Zn are rather interchangable.. You dont say what resolution you have: There will be a small difference in the number of electrons you expect to see at the metal site, depending on whether it is Zn Zn2+ etc etc, and you can correct that to take account of the f' as well. So

[ccp4bb] Metal ion differentiation - reg

2014-07-01 Thread Dhanasekaran Varudharasu
Dear all, I have solved a structure (using molecular replacement) of metallo-enzyme which may have Zn or Ni at its active site. I collected data at in-house CuKa radiation. Now, I am able to locate the active site metal ion preciously but I am not able to differentiate whether it i

Re: [ccp4bb] Input reflection file for refmac runs

2014-07-01 Thread Eleanor Dodson
Keep on using the master file. Refmac "corrects" the observations in a few ways The overall anisotropic B correction is always applied In the worst case scenario where you are refining considering twinning the 2FP2 output is no longer the observed FP but one after a detwinning correction.. So

Re: [ccp4bb] Input reflection file for refmac runs

2014-07-01 Thread Mark J van Raaij
Using the "master mtz file" (as you call it) is the safe thing to do. If you use the previous refmac output file, you have to careful the right structure factor columns are selected. They should be non-modified by the previous refmac run, otherwise you are refining both the data and the model. M

Re: [ccp4bb] Input reflection file for refmac runs

2014-07-01 Thread Boaz Shaanan
Hi Dilip, You've been doing the right thing. Just keep at it.  Cheers,          Boaz     Boaz Shaanan, Ph.D. Dept. of Life Sciences  Ben-Gurion University of the Negev  Beer-Sheva 84105  

[ccp4bb] Input reflection file for refmac runs

2014-07-01 Thread Dilip Badjugar
Dear CCP4bb users and Refinement experts, As input for (n+1)st run of refmac, should I use as input reflection file the output produced by refmac in the nth run? Currently I have been giving the master mtz file as input for all runs. I would appreciate the clarification from the community.

Re: [ccp4bb] Acorn, CRANK

2014-07-01 Thread Navraj Pannu
Hi Maher, The message is output from crunch2 and indicates it can not find peaks in its patterson function calculation. I would suggest to try using shelxc/d (you can do this within crank or other pipelines) and inputting a high resolution cut-off in substructure determination at 5.1 Angstrom and