Table 1 Data collection and refinement statistics

Data collection

Space group

P2₁2₁2₁

P2₁2₁2₁

Cell Dimensions (Å)

a = 95.79, b = 114.89, c = 139

a = 96.18, b = 116.84, c = 138.65

Wavelength (Å)

1.0

1.0

Anomalous scatterer

-

Se

Resolution (Å)

50.0-2.8

50.0-3.2

Outer shell resolution (Å)^a

2.9-2.8

3.31-3.2

No. of unique reflections

37166 (3101)

24009 (1781)

Redundancy

5.9

5.8

R_merge^b

0.68 (0.295)

0.142 (0.653)

Completeness (%)

100 (96.6)

99.7 (69.6)

I/σ I

23.5 (3.1)

10.16 (1.2)

Refinement

   Resolution range (Å)

50-3.0

   No. of reflections (test set)

35024 (3501)

0

   R_factor/R_free (%)

28.5/31.5

   No. of residues

1006

   No. of water molecules

358

B factor (Å ² )

Protein atoms

64.6

Water atoms

45.0

Stereochemistry

rmsd bond length (Å)

0.01

rmsd bond angle (°)

1.6

Ramachandran Plot

Prefered regions (%)

66.9

Allowed regions (%)

33.1