Table 2 Data collection, refinement, and final model statistics.

Data Collection

   Space group

P 2₁

P 2₁

   Cell dimensions (Å)

a = 38.18 Å, b = 56.86 Å, c = 38.17 Å, β = 112.92°

a = 45.26 Å, b = 45.84 Å, c = 95.08 Å, β = 98.43°

   Resolution range (Å)

50–0.79 (0.82–0.79)

50–1.04 (1.08–1.04)

   No. of unique reflections

147089

177843

   Redundancy

3.3 (1.4)

4.4 (3.2)

   Completeness (%)

90.0 (36.7)

95.0 (92.3)

   Average I/σ(I)

27 (3.7)

37 (2.6)

   R _merge (%)

5.4 (19.7)

5.7 (58.4)

Refinement

   Resolution limits (Å)

10–0.79

10–1.04

   No. reflections

138138

167333

   R _work (%) (I > 4σ(I))

10.6

11.7

   R (all data)

11.2

13.9

   R _free (%) (I > 4σ(I))

12.1

15.8

   R _free (%)

12.5

18.0

   No. of molecules per asymmetric unit

3

8

   Non-H atoms

Protein

1300

3433

Zinc

3

8

Acetate

3

0

Ethylene glycol

1

0

Water (full/partial)

251/47

640/46

   Average B (Ų)

All atoms

11.6

18.1

Main-chain atoms

7.2

13.7

Side-chain atoms

10.4

18.2

Solvent

22.6

29.0

   Geometry

rmsd bond length (Å)

0.016

0.014

rmsd bond angle (°)

2.2

2.3