Table 1 X-ray data collection and refinement statistics.

Space Group

P 4₁2₁2

P 4₁2₁2

P 4₁2₁2

P 4₁2₁2

Unit cell dimensions (Å)

   A

67.73

67.37

67.11

68.16

   B

67.73

67.37

67.11

68.16

   C

140.77

141.14

141.32

141.20

Resolution range (Å)^a

30–1.80 (1.91–1.80)

23–2.40 (2.55-2.40)

34–2.09 (2.22-2.09)

34–1.94 (2.06-1.94)

R _sym ^a

0.064 (0.455)

0.114 (0.373)

0.093 (0.350)

0.128 (0.339)

Completeness (%) ^a

99.6 (99.9)

99.7 (99.8)

99.9 (99.8)

99.9 (99.9)

Redundancy

7.0

4.4

17.9

12.4

Unique reflections

31,106

13,295

19,857

26,260

I/σI^a

34.0 (4.80)

8.9 (3.7)

7.09 (1.71)

17.8 (8.88)

Refinement

Total atoms

2,178

2,118

2,157

2,197

   Protein atoms

2,038

2,038

2,037

2,037

   Water atoms

125

66

106

134

   Ligand atoms

5

4

4

10

   Sulfate atoms

10

10

10

15

R _cryst ^b

0.231 (0.252)

0.252 (0.286)

0.234 (0.252)

0.265 (0.270)

R _free ^b

0.247 (0.267)

0.297 (0.355)

0.272 (0.319)

0.301 (0.304)

R.m.s. deviations

   Bond length (Å)

0.0050

0.0066

0.0075

0.011

   Bond angle (°)

1.10

1.16

1.25

1.20

Mean temperature factor (Ų)

For all atoms

22

24

21

20

For ligand atoms

20

17

21

21