Table 3.

Refinement statistics

Data set namea	Value(s) for form:
	I	II
Rwork (%)	17.8	19.2
Rfree (%)	22.3	24.7
Molecules in AU	2	6
No. of protein atoms	1837	5482
No. of solvent atoms	91	124
Bond length RMSD (Å)	0.010	0.009
Bond angle RMSD (°)	1.099	1.286
Ramachandran favored/outliers (%)	96.3/0	98.1/0
Avg B-value (Å2)	35.0	53.0
Avg B-value, coppers (Å2)	28.6	49.8
Avg B-value, waters (Å2)	44.4	53.3

^a RMSD, root mean square deviations.