Table 1 Data collection and refinement statistics

Data collection

Space group

P2₁

Cell dimensions

a,b,c (Å)

79.5, 66.2, 82.7

α,β,γ (°)

90.0, 115.0, 90.0

Resolution (Å)

72.07-2.50 (2.64-2.50)

R_merge

0.062 (0.284)

I/σI

7.7 (2.5)

Completeness (%)

92.1 (93.6)

Redundancy

1.9 (1.9)

Refinement

Resolution (Å)

70.00-2.50

No. of unique reflections

22294

R_cryst

23.2

R_free

29.5

Number of atoms/au

5726

Rms deviation from ideal values:

Bond lengths (Å)

0.01

Bond angles (°)

1.37

Average temperature factors:

β-clamp (chain A/B)

21.6/21.8

Peptide (chain C/D)

27.2/26.3

Water molecules (W)

25.4