Values in parentheses are for higher resolution shells (2.53–2.49 Å, 1.52–1.47 Å, 1.51–1.46 Å and 1.44–1.50 Å for Holo-pk, Apo-pk, Apo-ip and Apo-rm, respectively).
†Rmerge = ΣhklΣi|Ii(hkl)−(I(hkl))|/ΣhklΣi Ii(hkl); where Ii(hkl) is the intensity of the ith observation of reflection hkl and(I(hkl)) is the average intensity of the i observations. Values in parenth
Rmerge = ΣhklΣiIi(hkl)—⟨I(hkl)⟩|/ ΣhklΣ i Ii(hkl), where Ii(hkl) is the individual intensity of the ith observation of reflection hkl and ⟨I(hkl)⟩ is the average intensity of reflection hkl with summa
aValues in parentheses correspond to the shell of highest resolution.bRmerge = ∑hkl| Ii − Im | / ∑hklm>, where Ii and Im are the observed and mean intensity of related reflections with common indices
