Table 2. Diffraction data statistics for sets 1 and 2 in space group I4.

Values in parentheses are for the last resolution shell.

	Data set 1	Data set 2
Resolution range (Å)	46.4–1.80 (1.86–1.80)	45.4–1.80 (1.864–1.80)
Space group	I4	I4
Unit-cell parameters (Å, °)	a = b = 95.60, c = 254.98, α = β = γ = 90	a = b = 96.55, c = 256.84, α = β = γ = 90
Total reflections	1462171 (72806)	787298 (50148)
Unique reflections	95273 (5642)	108128 (10687)
Multiplicity	15.3 (12.9)	7.3 (4.7)
Completeness (%)	90.70 (54.07)†	99.83 (98.36)
Mean I/σ(I)	34.72 (4.13)	18.44 (1.29)
Wilson B factor (Å2)	20.33	25.76
R merge	0.069 (0.6876)	0.081 (1.097)
CC1/2	1 (0.894)	0.999 (0.467)

^†The data set is more than 98% complete at a resolution of 2.0 Å.