Table 1 X-ray diffraction data collection and refinement statistics

Data collection

Beamline

DLS I24

Space group

P 42 21 2

  a, b, c (Å)

76.46, 76.46, 128.99

  α,β, γ (deg)

90, 90, 90

 Wavelength (Å)

0.9685

 Resolution (Å)

65.77-1.7 (1.73–1.7)

 Rpim

0.063 (0.354)

 Half-set correlation CC_1/2 (%)

0.990 (0.552)

 I/σI

10.1 (3.1)

 Completeness (%)

99.1 (99.6)

 Multiplicity

7.4 (7.5)

Refinement

Resolution (Å)

54.07 – 1.70

No. of reflections

78,207

R _work/R _free

0.165, 0.195

No. of atoms

4704

  Protein

14.56

  Water

26.66

  Ca²⁺

6.78

  Bond lengths

0.009

  Bond angles

0.904

  Ramachandran favoured/outliers (%)

98.7/0