9TM5

Crystal structure of JAK2 JH1 in complex with AT9283

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	2023-05-04
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976250
Spacegroup name	C 1 2 1
Unit cell lengths	107.883, 69.303, 50.236
Unit cell angles	90.00, 99.19, 90.00

Refinement procedure

Resolution	49.590 - 1.450
R-factor	0.1795
Rwork	0.179
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.101
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.090	1.480
High resolution limit [Å]	1.450	1.450
Number of reflections	64667	3427
<I/σ(I)>	13	1.9
Completeness [%]	99.9	99.7
Redundancy	6.9	7
CC(1/2)	0.999	0.392

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	295	0.1 M Gly-Gly pH 8.2, 1.6 M Na-malonate