[ccp4bb]: ligands in a 2-fold axis

[Rongsheng Jin <rj87@columbia.edu>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

Hi there,

My protein crystallized in the P21212 space group. It forms a homo-dimer
around the crystallographic 2-fold axis. There is one small molecule
ligand binds to each protomer. The interesting thing is that the 2-fold
axis goes through the middle of the ligand molecules, although the
ligand itself is not perfectly 2-fold symmetric. It ends up with two
ligands overlap with each other while the 2-fold axis goes in the middle.
Does anybody know how to do the refinement (CNS?) without reducing to the
p21 space group?

Thanks,

Rongsheng