TABLE 7

DH677.3 structural data collection and refinement statistics

• a Rmerge = ∑|I − |/∑I, where I is the observed intensity and the average intensity obtained from multiple observations of symmetry-related reflections after rejections.

• b Rpim, defined in reference 1.

• c CC1/2, defined by Karplus and Diederichs (56).

• d R = ∑║Fo|− | Fc║/∑|Fo |, where Fo and Fc are the observed and calculated structure factors, respectively.

• e Rfree, as defined by Brünger (57).

• f RMSD = Root mean square deviation

• g Calculated with MolProbity.

• h Values in parentheses are for the highest-resolution shell.