amit sharma wrote:
>
> Apologies for a non-CCP4question.
Arrrrggh! Stop! Stop it! Stop apologising for using CCP4BB in the way
it is supposed to be used!
And not only that, this is not a non-CCP4 question.
> I have a structure of a dimeric molecule, where the interfaces between
> monomers is held by a couple of tyrosine residues (per monomer)
> juxtaposed with each other. The molecule exists as a dimer in
> solution. Are there ways/programs to show that the interaction between
> the tyrosine residues is not a consequence of crystal contacts. I
> guess the fact that the molecule occurs as a dimer in solution
> strongly suggests so. Also, any directions towards literature showing
> similar cases would be of great help.
PISA tries to distinguish between assemblies that occur only as a result
of crystal contacts and those that are intrinsic molecular interactions.
Paul.
|