Table 1 Crystal parameters and data processing statistics

Wavelength

0.98

0.98

0.98

Beamline

Soleil - Proxima 1

Soleil - Proxima 1

Diamond - IO3

Space group

P 3 2 1

P 3 2 1

P 2 2₁ 2₁

a, b, c (Å )

145.5, 145.5, 38.9

145.8, 145.8, 37.9

79.8, 95.2, 113

α, β, γ (°)

90, 90, 120

90, 90, 120

90, 90, 90

Resolution (Å)

47.62 – 1.55 (1.63 – 1.55)

47.74 - 1.89 (2.0 - 1.89)

29.54 – 2.61 (2.67 – 2.61)

R_meas (%)^a,b

4.9 (56.9)

12.3 (198.4)

10.5 (117)

No. of unique reflections^b

68481 (9923)

36784 (5212)

26553 (1559)

Average I/σI

24.8 (4.2)

14.3 (1.4)

16.1 (1.1)

CC (1/2)

100 (92.2)

99.9 (79.6)

99.8 (49)

Multiplicity^b

11.2 (10.9)

20.2 (19.3)

10.6 (3.8)

Completeness (%)^b

99.9 (99.0)

99.7 (97.7)

98.3 (79.6)

Wilson B-factor

24.9

35.6

63.4

R_work/R_free(%)^{c, d}

16.9/19.3

18.9/22.7

20.5/24.5

Average B-factor (Ų)

20.2

28.3

35.7

R.m.s. deviations

Bond lengths (Å)

0.026

0.021

0.012

Bond angles (°)

2.715

2.150

1.607

No. Atoms (except H)

Protein

2778

2752

5293

Water

305

105

29

Residues in allowed regions

100

98.6

98.7

(%) of Ramachandran plot

PDB entry

4WEM

4WEN

4WEU