Hi Dominic, I don't think you should interpret occupancy values at phasing stage too literally. The sites may be partially occupied or belong to other chemical species, etc. It doesn't matter as long as you get phasing solved. Where it does matter is later in refinement but then restraints or constraints will be applied to refining parameters and you will be getting meaningful parameter values. Pavel On 9/21/17 12:35, Dominic Gilzer wrote:
Dear everybody,
I am using Phenix HySS to solve the substructure of an iodine soak. I tried several high resolution cut-offs and a varying amount of heavy atoms to search for, but consistently get occupancies of > 1.0. Has anyone noticed such values for occupancies before, and by chance knows how or why these occur?
Best regards, Dominic