Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

	JAK1–ADP	JAK1–PF-4950736
Diffraction source	IMCA-CAT 17-ID, APS	IMCA-CAT 17-ID, APS
Wavelength (Å)	1.0	1.0
Temperature (K)	100	100
Detector	Dectris PILATUS 6M	Dectris PILATUS 6M
Crystal-to-detector distance (mm)	400	400
Rotation range per image (°)	0.25	0.25
Total rotation range (°)	180	180
Exposure time per image (s)	0.25	0.25
Space group	P21	C2221
a, b, c (Å)	45.6, 146.6, 49.9	46.2, 88.3, 146.8
α, β, γ (°)	90.0, 116.7, 90.0	90.0, 90.0, 90.0
Mosaicity (°)	0.2	0.3
Resolution range (Å)	146–2.5	146–2.4
Total No. of reflections	70875	64014
No. of unique reflections	20949	11807
Completeness (%)	99.5 (99.5)	97.3 (80.9)
Multiplicity	3.4 (3.6)	5.4 (3.3)
〈I/σ(I)〉	10.2 (2.6)	14.5 (2.3)
R r.i.m.	0.06 (0.28)	0.05 (0.29)
Overall B factor from Wilson plot (Å2)	46.9	40.7