Table 2 Crystallographic data and refinement statistics

PDB ID

4HSZ

4ETO

Source

X29, BNL

X4A, BNL

Wavelength (Å)

1.075

0.979

Resolution limits (Å)

46.9 – 2.25

50 – 1.54

Space group

P1

P2₁

Unit cell (Å) a, b, c and α, β, γ (°)

a = 28.80, b = 34.36, c = 95.31 and α = 95.48, β = 95.30, γ = 114.82

a = 30.28, b = 91.99, c = 32.86 and β = 112.6

Number of observations

31076

87461

Number of unique reflections

14935

24461

^aCompleteness (%)

96.4 (94.1)

99.6 (100)

Mean I/σI

19.6 (2.4)

27.8 (2.76)

^bR_merge on I

6.3 (42.2)

6.3 (49.6)

B_wilson (Ų)

30.023

18.4

Refinement statistics

Resolution limits (Å)

46.9 – 2.25

46.0 – 1.54

Number of reflections (work/free)

14159/750

23168/1247

Cutoff criteria I/σI

0

0

Protein/water atoms

2904/9

1530/86

R_work/R_free (5% of data)

0.228/0.277

0.209/0.251

^cBonds (Å)/angles (°)

0.007/0.984

0.020/1.823

Mean B (Ų)

56.2

20.14