 |
 |
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.