8C09

Crystal structure of JAK2 JH2-I559F

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	2021-07-13
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976250
Spacegroup name	P 21 21 21
Unit cell lengths	48.869, 53.192, 99.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.860 - 1.900
R-factor	0.223
Rwork	0.221
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fvr
RMSD bond length	0.004
RMSD bond angle	0.526
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.192	2.010
High resolution limit [Å]	1.900	1.900
Number of reflections	39521	6409
<I/σ(I)>	7.89	0.84
Completeness [%]	100.0	99.9
Redundancy	6.4	6.6
CC(1/2)	0.997	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M Tris pH 8.5, 26% PEG4000, 0.2 M Na-acetate