Table 2 Crystallographic statistics of SmSDR variants.

Beamline

NSRRC 15A1

Wavelength (Å)

1.000

  a, b, c (Å)

83.87, 83.87, 115.05

83.80, 83.80, 114.25

84.01, 84.01, 115.82

83.93, 83.93, 115.04

  α, β, γ (°)

90.00, 90.00, 90.00

90.00, 90.00, 90.00

90.00, 90.00, 90.00

90.00, 90.00, 90.00

  Space group

P4₁2₁2

P4₁2₁2

P4₁2₁2

P4₁2₁2

  Resolution (Å)

20.00–1.47

67.58–1.87

50.00–1.90

67.55–1.47

  Completeness (%)^a

99.8 (100.0)

99.5 (96.9)

92.3 (70.2)

98.8 (100.0)

Number of unique reflections

69956

34418

33651

70468

  Redundancy^a

11.4 (11.3)

13.7 (13.2)

26.7 (19.0)

28.1 (27.7)

  R_merge (%)^a,b

7.5 (93.1)

5.1 (21.2)

6.5 (23.1)

4.9 (17.2)

  R_rim (%)

2.3 (28.3)

1.4 (6.0)

1.3 (6.1)

1.0 (3.7)

Average I/σ (I)^a

36.66 (4.44)

44.73 (14.1)

46.01 (10.5)

85.1 (20.8)

CC_1/2

0.991

0.998

0.993

0.996

Wilson B factor (Ų)

13.1

18.3

18.2

13.2

  Resolution range (Å)

19.89–1.47

67.58–1.87

50.00–1.90

67.55–1.47

  Number of atoms

3616

3565

3646

3666

  R_factor (%)^c

16.6

15.0

17.2

17.5

 R_free (%)^d

19.1

20.3

21.2

20.7

  Bond length (Å)^f

0.035

0.022

0.020

0.028

  Bond angle (°)^f

2.919

2.029

1.990

2.540

  Refined B-factor (Ų)

18.23

20.61

22.54

20.094

  Favored/Allowed/Outliers

99/1/0

98/2/0

98/2/0

97/3/0

  PDB code

4ZGW

5WUL

5WUW

5WVA