29RY

The crystal structure of the apo JAK2 kinase domain

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	2025-02-21
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976250
Spacegroup name	C 1 2 1
Unit cell lengths	108.344, 69.244, 50.292
Unit cell angles	90.00, 98.66, 90.00

Refinement procedure

Resolution	53.550 - 1.750
R-factor	0.2037
Rwork	0.202
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.923
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.150	1.780
High resolution limit [Å]	1.750	1.750
Number of reflections	36817	1825
<I/σ(I)>	6.7
Completeness [%]	99.2	98.22
Redundancy	7	7
CC(1/2)	0.994	0.319

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	295	0.1 M GLY-GLY PH 8.2, 1.6 M NA-MALONATE