hi guys
sorry for the non ccp4 question but im having a problem refining a protein using shelxh. I have 2 angstrom data (P6122 space group). Initial refinement produces an R(Free) = 0.3277 and R1 = 0.2198. Now I know my protein structure is very good and would expect an initial Rfree of less than 25 which is what i achieved when I ran refmac to double check my data. Can anyone explain the large gap im getting when using shelxh or what i can do to fix it.
thanks in advance.
vince
