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.pngThe 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.
<<attachment: Screenshot-Coot Ligand Builder.png>>
