Table 1 Data collection and refinement statistics

Space group

P1

P1

P1

 a, b, c (Å)

59.47, 68.05, 98.99

37.25, 39.92, 50.42

55.73, 73.5, 97.28

 α, β, γ (°)

106.461, 108.516, 93.086

88.974, 105.789, 115.319

73.422, 82.919, 80.781

Resolution (Å)

45.87–3.35 (3.47–3.35)^a

48.21–2.10 (2.175–2.1)^a

49.01–3.35 (3.47–3.35)^a

Total observations

35,399 (3,655)^a

22,444 (919)^a

37,099 (3,840)^a

Unique reflections

18,621 (1,887)^a

11,814 (500)^a

19,545 (1,994)^a

Redundancy

1.9 (1.9)^a

1.9 (1.8)^a

1.9 (1.9)^a

Completeness (%)

76.72 (60.34)^a

73.95 (24.42)^a

84.33 (71.67)^a

R_meas

0.09258 (1.532)^a

0.0573 (1.003)^a

0.1078 (1.082)^a

I/σ(I)

6.5 (0.78)^a

8.68 (0.95)^a

6.88 (1.01)^a

CC_1/2

0.998 (0.554)^a

0.994 (0.646)^a

0.998 (0.431)^a

Resolution (Å)

45.87–3.35

48.21–2.10

49.01–3.35

Reflections (work)

18,614

11,814

19,543

Reflections (test)

751

1,094

1,772

R_work/R_free (%)

29.47/32.69

22.61/27.26

24.91/30.51

Average B-factor (Ų)

133.68

75.62

98.69

Protein

5,365

1,913

11,098

Water

0

5

0

Favored (%)

100

98.65

98.91

Outliers (%)

0

0

0.15

Favored (%)

96.67

97.31

96.47

Outliers (%)

0.53

0

0.25

Bond lengths (Å)

0.002

0.002

0.002

Bond angles (°)

0.88

0.38

0.37

Molprobity score

1.32

1.19

1.31

Percentile

100th

100th

100th

Clashscore

5.91

4

5.68

Percentile

100th

99th

100th

PDB ID

7UPP

7UPO

7UPQ