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.
