Table 1. Summary of x-ray data
Data collection λ1a λ1b
Wavelength, Å 0.97957 0.97957
Max. resolution, Å 2.6 2.0
Measured reflections 941,689 821,050
Space group C2 C2
Cell parameters a = 241.6, b = 82.9, c = 114.8 Å α = γ = 90°, β = 116° a = 241.6, b = 82.9, c = 114.8 Å α = γ = 90°, β = 116°
Res. range,* Å 30-2.6 (2.69-2.60) 30-2.0 (2.07-2.00)
Unique reflections* 62,310 (6,008) 114,006 (7,381)
Completeness,* % 95.5 (90.0) 83.1 (54.2)
R merge,* , % 6.8 (25.6) 7.2 (29.1)
I 11.8 (2.9) 16.6 (3.2)
Redundancy* 5.8 (5.1) 4.7 (3.1)
Solvent fraction 0.58 0.58
Substructures (Se) 14 Se
  • * Values in parentheses refer to the highest-resolution bin.

  • R merge = ΣhΣi\I hi— 〈I h 〉/ΣhΣhi.