Hi All,
We have several substrate-soaked data with resoltuion from
3.1~3.6A, after refinement
with the native structure, the rfree are in the range of 0.29~0.34. We found
in the expected
active site there do have extra densities, but not very clear. In some
chains the densities
are big while in other chains very small. For some good extra densities can
fit the substrate
in but cannot specify the accurate atom positions. And the map densities
seem not very convictive(low resolution or bad refinement?). This is a
relative big structure, I think it would be difficult to rebuild it in such
low resolution. We also has tried to use the sulfur anomalous signal in the
substrate in 1.54A, but it failed since all the sulfurs in the model have
no signal. So anyone has some methods to make the density better or make
sure whether it has substrate soaked in?
Thanks!