Table 3 Crystallographic statistics for Tyk2/Compound 1 and Tyk2/Compound 2 complexes

PDB entry

4E20

4E1Z

Data Collection

Resolution (Å)

50.0–2.60

20.0–2.50

(Highest shell, Å)

2.64–2.60

2.54–2.50

Space Group

P3₁21

P3₁21

Unit Cell Lengths (a, b, c; Å)

67.3, 67.3, 154.9

68.0, 68.0, 153.0

Unique reflections

13,121

14,608

Mosaicity (°)

0.247

0.642

Overall Statistics (Highest Shell)

R_sym (%)

0.085 (0.511)

0.055 (0.480)

I/σ _I

8.9 (2.5)

9.2 (2.3)

Data completeness (%)

99.9 (100)

98.3 (97.4)

Mean multiplicity

6.9 (5.1)

6.8 (4.7)

Refinement

Reflections used in refinement

13,072

13,973

R_cryst (%)

19.9

19.8

R_free (%)

23.2

24.3

R.m.s. deviations, bond lengths (Å), bond angles (°)

0.010, 1.15

0.010, 1.20

Ramachadran plot

Most favored (%)

96.4

96.1

Allowed (%)

2.2

3.2

Disallowed (%)

1.5

0.7