8C08

Crystal structure of JAK2 JH2-K539L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976250
Spacegroup name	P 43
Unit cell lengths	46.857, 46.857, 309.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.370 - 2.200
R-factor	0.2667
Rwork	0.230
R-free	0.25930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fvr
RMSD bond length	0.002
RMSD bond angle	0.515
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.370	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	33692	2903
<I/σ(I)>	13.6	1.2
Completeness [%]	100.0	99.7
Redundancy	14.2	14.2
CC(1/2)	0.999	0.574

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	0.1 M Tris pH 8.0, 20% PEG4000, 0.1 M Mg-acetate, 1 mM ATP, 3 mM MgCl2.