Dear All,
I am refinining a protein-NAD complex structure at ~1.9A resolution.
I have included a main conformation for my NAD ligand but while I see clearly the position for the nicotinamide- first ribose part, my density bifurcates when it comes to the second ribose-adenine. It seems that I have two (at least) conformations for this part of the ligand molecule.
Can I refine these two alternate conformations in Phenix knowing that a part of the ligand will be common (have an occupancy of one) while the two other ones will be separate?
Do I need to enter two ligand molecules or do I have to do more elaborate things?
Last question is it possible that for the variable regions I may end up with a sum of occupancies that is not 1 while for the fixed region it might end up being one?
That's three questions for the wizards.
Thanks in advance.
Pascal Egea
UCSF