Table 2 Data collection and refinement statistics.

Crystal Parameters

   Unit cell lengths (Å)

a = b = 148.03 c = 160.09

a = 85.72 b = 188.45 c = 192.40

   Unit cell angle (°)

α = β = γ = 90.0

α = β = γ = 90.0

   Space group

I 4₁

P 2₁2₁2₁

   Crystal dimensions (mm)

0.5 × 0.2 × 0.2

0.5 × 0.3 × 0.3

Diffraction Data ^a

   Temperature (K)

293

100

   Resolution Range (Å)

50.0 – 2.40

50.0 – 2.20

   Observations (I > 0σ (I))

152,476

425,475

   Unique reflections (I > 0σ (I))

55,092

142,147

   Completeness (%)

82.0 (52.0)

89.4 (65.1)

   R_sym^b

0.115 (0.302)

0.075 (0.34)

Refinement

   ^cR_factor

0.1712

0.2237

   R_free

0.2113

0.2543

   RMSD^d bond lengths (Å)

0.007

0.007

   RMSD^d bond angles (°)

1.285

1.233

Ramachandran Plot (%)

   Most favoured

83.2

83.3

   Additionally allowed

15.1

15.1

   Generously allowed

1.2

1.2

   Disallowed

0.5

0.7