Table 1 Data collection and refinement statistics

PDB

9J88

9J91

Data collection

 Wavelength (Å)

0.97918

0.97913

 Space group

P 2₁ 2₁ 2₁

P 6₂ 2 2

 Resolution range(Å)

29.62–2.34 (2.43–2.34)^*

27.76–2.60 (2.69–2.60)^*

 Unit cell a, b, c (Å)

60.54, 71.62, 143.69

175.49, 175.49, 63.42

 α, β, γ (°)

90, 90, 90

90.00, 90.00, 120.00

 Unique reflections

26,731 (2449)

18,284 (1772)

 Completeness (%)

99.05 (92.63)

99.80 (99.55)

 Redundancy

9.5(9.3)

19.8(18.7)

 I/σ(I)

18.3 (2.6)

20.0 (2.7)

 R_merge(%)

13.5(79.3)

13.8(164.1)

 CC_1/2

0.99 (0.92)

0.99 (0.70)

Refinement

 Reflections used in refinement

26,728 (2450)

18,282 (1772)

 Reflections used for R_free

1345 (116)

883 (81)

 R_work (%)

19.0

20.7

 R_free (%)

25.8

24.3

 Protein residues

688

343

 Water

268

268

 Number of non-hydrogen

5755

2844

 Protein

5502

2705

 Solvent

253

139

RMSD values

 Bond lengths (Å)

0.008

0.009

 Bond angles (°)

1.27

1.06

 Ramachandran favored (%)

96.57

93.73

 Ramachandran allowed (%)

3.28

6.27