7T1T

JAK2 JH2 IN COMPLEX WITH JAK292

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2021-03-03
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	44.530, 57.600, 60.980
Unit cell angles	90.00, 110.81, 90.00

Refinement procedure

Resolution	23.630 - 2.080
R-factor	0.1833
Rwork	0.181
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fvp
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]	23.630	23.630	2.200
High resolution limit [Å]	2.080	6.050	2.080
Rmerge	0.075	0.027	0.364
Rmeas	0.088	0.032	0.433
Total number of observations	61772
Number of reflections	17077	721	2560
<I/σ(I)>	14.16	36.59	3.65
Completeness [%]	97.4	95.8	94.6
Redundancy	3.617	3.442	3.311
CC(1/2)	0.998	0.999	0.899

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