Table 1 Data collection and refinement statistics

Space group

P2₁

P2₁

I4₁

Resolution (Å)

50–2.2

50–2.2

50–2.4

    a, b, c (Å)

82.5, 86.8, 96.9

81.7, 86.1, 96.9

176.9, 176.9, 49.2

    α, β, γ (°)

90.0, 90.7, 90.0

90.0, 90.7, 90.0

90.0, 90.0, 90.0

R_sym (%)

7.5 (102.2)^a

4.9 (100.9)

7.1 (95.2)

I / σI

13.2 (1.8)

9.2 (1.0)

12.9 (2.1)

Completeness (%)

99.5 (99.7)

95.8 (91.1)

99.1 (99.8)

Redundancy

4.0 (4.1)

2.0 (2.0)

5.7 (6.1)

B-factor (Wilson plot)

42.0

49.8

59.0

Resolution (Å)

50.0–2.2

50.0–2.2

50.0–2.4

No. of reflections

69,124

67,470

29,943

R_work/R_free

18.9/ 21.9

18.2 / 22.4

23.0/27.3

No. of atoms

    Protein

10,191

10,168

5057

    Ligands/ion

184

304

152

    Water

187

242

27

    Protein

52.0

62.8

93.3

    FAD, [4Fe–4S], FMN, substrate

42.1, 52.6, 37.2

49.7, 61.5, 46.0, 89.7

103.8, 71.7, 62.7, 90.5

    Water

43.5

58.4

76.8

    Bond lengths (Å)

0.015

0.015

0.004

    Bond angles (°)

1.70

1.72

0.91