Hi, All,
I have a general question for refinement. I tried to refine a dataset that
is about 2.3A and got R/Rfree is about o.18/0.24. RMS(angles): 0.77,
RMS(bonds): 0.003
however, when I check with molprobity, There are still some outliers and
some bad contact that is overlap > 0.4 A.
Ramachandran outliers: 0.2% (Goal: < 0.2%)
Ramachandran favored: 97.7% (Goal: > 98%)
Rotamer outliers: 1.4% (Goal: 1%)
C-beta outliers: 0 (Goal: 0)
Clashscore: 14.16
Generally speaking, should I remove all those bad contact or is there any
miminum requirement that ok, the structure is acceptable? I know the
refinement can be endless, but I just want to get an idea how far away I'm .
Thanks.
R
