Re: [ccp4bb] Mystery density

2011-12-01 Thread Ed Pozharski
The center bit looks very much like phosphate - see what happens if one is placed there It may be educational to look at the maps in P1, just to see how much trouble is caused by "noise accumulation on the symmetry axis" On Thu, 2011-12-01 at 09:36 +, Martin Montgomery wrote: > Posting on beh

Re: [ccp4bb] Mystery density

2011-12-01 Thread Roger Rowlett
I think a metal ion is unlikely given that the nearest ligand(s) are Arg residues. I would lay money on an anion. The central feature looks very much like a bicarbonate ion, and is very similar to the bicarbonate ion bound in a generic anion binding site near 2 Arg re

Re: [ccp4bb] Mystery density

2011-12-01 Thread Eleanor Dodson
Well - first thing to do is an DANO map and see if it is a metal ion. The relative height of the DANO peaks for S and anything else can give you some clues. Eleanor On 12/01/2011 10:20 AM, Carlos Kikuti wrote: It's bang on the Y axis I'd just ignore it (treat it as just noise) and work

Re: [ccp4bb] Mystery density

2011-12-01 Thread Adrian Goldman
We had a similar case in our Eib structure (2xzr), with large peaks on a 3-fold. We initially thought it was noise, but Andrei Lupas convinced us to look more carefully, and it turned out to be chloride ion. You could do an wavelength scan at a beamline looking for anomalous signal at the lo

Re: [ccp4bb] Mystery density

2011-12-01 Thread Carlos Kikuti
It's bang on the Y axis I'd just ignore it (treat it as just noise) and work on the rest of the model. There seems to be some trouble in other parts of it. (Had a similar case but at 3.5 A data). I wonder what is the gap between Rfree and Rwork. And I'm curious for what more experienced pe

Re: [ccp4bb] Mystery density

2011-12-01 Thread Mark J van Raaij
although it is hard to see in 3 2D views, some of the tentacles appear connected to the protein, could they result from some of the long Lys or Arg side-chains not following the 4-fold symmetry? i.e. alternative conformations? The density on the 4-fold may be ions, solvent, some metal ion? "Noise

[ccp4bb] Mystery density

2011-12-01 Thread Martin Montgomery
Posting on behalf of Katia Baranova (see below). Any suggestions gratefully received! Hello, we have a puzzling density and hope someone has an idea of what it may be. The pictures of it are here: http://www.mrc-mbu.cam.ac.uk/sites/default/files/images/mystery/top.png http://www.mrc-mbu.ca