On 13/09/13 17:50, Andreas Förster wrote:
> Dear all,
>
> a structure I'm refining is enjoying a free R factor of 18 but still
> suffers from mystery density that nothing in the crystallization
> condition could explain. I can't explain it either. Maybe you like
> to venture some guesses?
>
> The missing ligand is derivatized benzoic acid, nitrobenzene or
> benzamide. I didn't find anything obvious in the PDB. Any suggestions?
> http://www.msf.bio.ic.ac.uk/images/puzzle/puzzle1.png
>
> The second ligand is a longer shot, two blobs connected by a
> substantial bridge. The two views are slightly rotated, and a bit of
> peptide is shown to give an idea of the size.
> http://www.msf.bio.ic.ac.uk/images/puzzle/puzzle2.png
> http://www.msf.bio.ic.ac.uk/images/puzzle/puzzle3.png
>
> Happy guessing!
This is what I can detect from your images...
it's not really a nugget, is it? It's more of a splat.
(it *is* Friday afternoon, that's my excuse...:))
Paul.
|