7T0P

JAK2 JH2 IN COMPLEX WITH JAK315

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2021-05-13
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	47.430, 57.620, 59.670
Unit cell angles	88.24, 111.68, 92.48

Refinement procedure

Resolution	19.190 - 2.040
R-factor	0.1973
Rwork	0.195
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6occ
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.190	19.190	2.180
High resolution limit [Å]	2.040	6.050	2.040
Rmerge	0.080	0.037	0.278
Rmeas	0.094	0.044	0.326
Total number of observations	133449
Number of reflections	34789	1327	5752
<I/σ(I)>	13.38	30.51	5.31
Completeness [%]	93.0	92.6	85.2
Redundancy	3.836	3.71	3.68
CC(1/2)	0.997	0.997	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000