I get
R-free = 20.4 and R = 20.3 for (TEST 10%) and
R-free = 20.6 and R = 20.3 for (TEST 20%).
The geometry is ok (0.017 and 3.2).
Can R-free be so close to R ? Is the R-free behavior
with TEST % correct?
I know that the structure is correct as it is a heavy
atom complex of a solved native enzyme.
chumma at purdue.edu