Table 1 Data collection and refinement statistics

Data collection statistics

 Beamline/detector

Rigaku Micromax-007 HF&Raxis IV++

 Space group

P2₁ 2₁ 2₁

 Unit cell (Å/deg.)

a = 76.8, b = 82.7, c = 99.8, α = β = γ = 90.0

 Wavelength (Å)

1.5418

 Resolution range (Å)^a

50.00–2.00 (2.05–2.00)

 Total/unique reflections

43,098/2167

 Redundancy^a

12.0 (11.6)

 Completeness (%)^a

98.6 (99.1)

 Mean I/σ(I)^a

31.3 (8.7)

 Wilson B factor (Ų)

25.2

 Solvent content (%)

38.8

Refinement statistics

 Resolution range (Å)^a

34.83–2.00 (2.05–2.00)

 R _work (%)^b

20.4

 R _free (%)^b

23.8

R.m.s. deviation

 Bond lengths (Å)

0.008

 Bond angles (deg.)

1.22

 Average B factor (Ų)

26.0

Ramachandran plot

 Favored (%)

96.5

 Disallowed (%)

0.0