Table 1 Data collection and refinement statistics

Space group

P222₁

Unit cell, Å

a = 68.3, b = 72.1, c = 146.8; α = β = γ = 90°

Resolution (outer shell), Ź

30.0–1.75 (1.75 – 1.78)

Wavelength, Å

1.0081

Completeness, %

98.4 (82.8)

Multiplicity

3.9 (3.0)

Unique reflections

72600 (3002)

<I>/s(I)

20.3 (1.7)

Rmerge² (%)

6.3 (58.9)

Wilson B factor (Ų)

25

Refinement

R-factor³/Free R-factor (%)

19.1/21.4

r.m.s.d.⁴ bonds/angles (Å,°)

0.010 (0.022)/1.173 (1.982)

Average B (Ų)

37.1