Table 1 Data collection and refinement statistics

Data collection statistics ^a

Space group

P2₁

Type of crystal

Se-Met derivative (peak)

Se-Met derivative (peak)

Wavelength (Å)

0.9791

0.9794

Unit cell:

  a, b, c (Å)

48.94, 58.52, 88.35

  α, β, γ (°)

90.00, 103.82, 90.00

Resolution (Å)^b

37.91–1.74 (1.83–1.74)

58.57–2.28 (2.4–2.28)

Unique reflections

49642

22282

R_merge (%)

7.9 (48.4)

8.0 (25.4)

Completness (%)

99.5 (99.4)

99.7 (99.6)

Multiplicity

5.2 (5.2)

7.1 (7.1)

Average I/σ (I)

12.0 (3.1)

13.9 (5.7)

Refinement statistics

Molecules/AU

1

R (%)

15.5

R_free (%)^c

19.2

B factor (Ų)

17.1

RMS deviations:

  Bond lengths (Å)

0.006

  Bond angles (°)

0.884

No. of:

  Protein residues

467

  Water molecules

466

  Hetero compounds

1 Mg²⁺, 2 Cl^-, 29 ethylene glycol

Validation

Ramachandran plot:

  Favoured (%)

98.8

  Allowed (%)

1.2

  Disallowed (%)

0