Dear CCP4bb, Can I refine anisotropic ADPs for macromolecule only, while isotropic ADPs for water, simultaneously in ccp4? I have a 1.1.5 Angs data and when I refine anisotropically the rfactor/rfree difference is 6. Is it true that if I could refine the macromolecule anisotropically and the waters isotropically it would result in better R values?
Ivan
