Re: [ccp4bb] meaning of R free of perfect twin

2008-12-08 Thread Eleanor Dodson
you need to select the Free R in the highest possible Laue group , then use cad to extend this to all reflections in the chosen point group. This is best done immediately post-truncate.. eg if you twinning operator is k,h,-l, then if 1,2, 3 is assigned to the free set so should 2, 1, -3 be.

Re: [ccp4bb] meaning of R free of perfect twin

2008-12-08 Thread George M. Sheldrick
A good compromise in the case of suspected perfect merohedral twinning is to select the free R reflections using thin shells. Since the twin related reflections have the same sin(theta)/lambda values they will not be split over the working and reference sets. XPREP offers this option. A

Re: [ccp4bb] suggestions for UV spectrometer

2008-12-08 Thread Pius Padayatti
nanodrop system is wonderful. it helps very much in solutions with high interference from detergents etc etc. i highly receommend nanodrop specs PSP On Thu, Dec 4, 2008 at 10:16 AM, Tim Gruene [EMAIL PROTECTED] wrote: Dear all, we would like to purchase a UV spectrometer for measuring

Re: [ccp4bb] AW: [ccp4bb] suggestions for UV spectrometer

2008-12-08 Thread Jose Antonio Cuesta-Seijo
I also have to come in defense of the nanodrop here. I have measured up to A280 = 98 and the curve is always reasonably smooth, spikes normally mean that bubbles have formed. And proper cleaning seems to be rubbing with a kimwipe three or four times after each drop. If the last user does

Re: [ccp4bb] AW: [ccp4bb] suggestions for UV spectrometer

2008-12-08 Thread Edward Snell
Getting even further off topic, we had a Nanodrop demo for trial shortly after hearing that a significant number of crystallization groups were using them. I won't go into the trial details, but I'd be interested in hearing from people (via email rather then the ccp4 postings) who did systematic

[ccp4bb] Modeling residues with very poor density

2008-12-08 Thread Andy Millston
I am trying to build a model of a 6 Da protein from the diffraction data collected at 2.0 A resolution. There is a 10-residue stretch that has such bad electron density that even at 0.4 sigma level one can hardly see any well defined density for residues with long side chains. My question

Re: [ccp4bb] Modeling residues with very poor density

2008-12-08 Thread Pavel Afonine
This might help: Acta Cryst. (1997). D53, 540-543 Local Improvement of Electron-Density Maps Pavel. PS It will be implemented in PHENIX sometime in future, but for the moment you will need to so some scripting. On 12/8/2008 11:08 AM, Andy Millston wrote: I am trying to build a model of

[ccp4bb] high brilliance Rigaku system available (FR-D gen. /R-Axis IV ++ detector)

2008-12-08 Thread Erin Curry
Hi all, We have available a complete Rigaku crystallography system, purchased in 2002. It includes a high-brilliance FR-D generator, an R-Axis IV++ detector, Mirror Confocal Purple optics, X-Stream 2000, Haskris chiller, and all accompanying accessories and software. Please contact us for

[ccp4bb] Postdoctoral Research Positions

2008-12-08 Thread L. Wayne Schultz
Hauptman-Woodward Medical Research Institute Virus-Host Interactions and Structures The laboratories of Drs. L. Wayne Schultz and Tim Umland are seeking highly motivated individuals to participate in a joint interdisciplinary research project investigating virus-host protein-protein

Re: [ccp4bb] MR with DNA

2008-12-08 Thread Phoebe Rice
There are certainly reasons why it shouldn't work: - the protein may alter the structure - even if its not a big bender, it may tweak the groove widths or introduce a shallow overall bend in a long binding site - the phosphates move the most between DNA structures, and unfortunately they also