Table 4 The statistics of X-ray structure data collection, processing and structure refinement and validation of AsfvTop2 ATPase/MgAMP-PNP in reduced and oxidized states

PDB code

8JA2

8JA1

Space group

P6₁22

P6₁22

a, b, c (Å)

85.92, 85.92, 212.01

85.76, 85.76, 212.30

α, β, γ (°)

90, 90, 120

90.00, 90.00, 120.00

Resolution (Å)

43.21–1.73 (1.82–1.73)^a

43.18–1.14 (1.20–1.14)^a

R_merge

0.069 (0.404)^a

0.098 (1.210)^a

I/σI

18.6 (4.9)^a

15.1 (2.1)^a

Completeness (%)

99.0 (98.7)^a

99.8 (98.6)^a

Multiplicity

8.6 (8.4)^a

20.1(13.2)^a

Total reflections / Unique reflections

417449 (58802)^a /

48808 (6982)^a

3356924 (312727)^a /

166668 (23634)^a

CC_½

0.999 (0.934)^a

0.999 (0.696)^a

Search model (PDB)

1PVG⁵⁵

Reduced form (8JA2)

R_work/R_free

0.1979 / 0.2163

0.1838 / 0.1870

Protein

3099

3078

AMP-PNP/Mg²⁺

31 / 1

31 / 1

Water

227

352

Protein

21.4

21.23

AMP-PNP/Mg²⁺

12.3 / 12.6

9.0 / 7.4

Water

25.5

21.5

Bond lengths (Å)

0.05

0.007

Bond angles (°)

1.703

1.037

favored region

98.17

97.61

allowed region

1.83

2.39

disallowed region

0

0