Thanks to all who engaged with my little puzzle. The weekend is over
and I'm not exactly closer to fitting the right pieces into the density.
Benzamidine was a good suggestion for the first bit of density.
However, I didn't use that inhibitor during purification. The second
set of blobs doesn't sit on a twofold. It might just remain undefined.
Thanks anyway for all replies.
Andreas
> 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!
>
--
Andreas Förster
Crystallization and Xray Facility Manager
Centre for Structural Biology
Imperial College London
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