Table 1 Data collection and refinement statistics.

PDB code

7VMX

7VOK

  Space group

P 4₃ 2₁ 2

P 2₁

  Unit cell a, b, c (Å)

128.11, 128.11, 200.67

95.06, 75.18, 127.18

  α, β, γ [°]

90, 90, 90

90, 93.77, 90

  Resolution range

29.86–2.80 (2.90–2.80)*

29.95–3.40 (3.52–3.40)*

  Total reflections

1,095,359 (110,789)

169,671 (17,398)

  Unique reflections

41,658 (1339)

24,414 (663)

  Multiplicity

26.3 (27.1)

6.9 (7.2)

  Completeness (%)

98.9 (91.2)

94.9 (90.7)

  I/σ (I)

5.0 (3.46)

7.9 (4.97)

  Wilson B-factor

48.56

53.02

  R_merge

0.141 (0.535)

0.094 (0.317)

  CC_1/2

0.998

0.998

  Resolution

29.86–2.80 (2.88–2.80)

29.95–3.40 (3.58–3.40)

  Reflections used in refinement

36,510 (1339)

20,005 (663)

  Reflections used for R-free

1815 (64)

1017 (29)

  R_work/R_free (%)

23.16/26.77

24.43/30.16

  Protein residues

619

1529

  Number of non-hydrogen atoms

4717

11,912

  Macromolecules

4706

11,796

  Ligands or ions

7

116

  Solvent

4

–

  RMS (bonds)

0.015

0.008

  RMS (angles)

2.20

1.43

  Ramachandran favored (%)

92.14

94.63

  Ramachandran allowed (%)

7.53

4.71

  Ramachandran outliers (%)

0.33

0.66

  Average B-factor

63.5

53.0

  Macromolecules

63.49

53.38

  Ligands

83.60

64.92

  Solvent

36.56

–