I believe that the definition of "significant" for crystallographic
data should be based on the difference map. If a shift of that magnitude
causes a feature to appear in the map, then the crystal data is driving
the shift. If you can have a shift that large, for the particular atoms
in quest
I am trying to compare structures of the same protein in the apo form and
when bound to several different ligands. There are differences, but they
are subtle and I am unsure whether they are actually significant or just do
to coordinate error or something similar. Is there a theoretical minimum
(in
