6VSN

JAK2 JH1 in complex with BL2-110

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2020-02-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	111.624, 70.301, 112.697
Unit cell angles	90.00, 90.69, 90.00

Refinement procedure

Resolution	49.772 - 2.500
R-factor	0.1915
Rwork	0.190
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xa4
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14-3260_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.800	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	60678	5892
<I/σ(I)>	7.7	1.9
Completeness [%]	99.8
Redundancy	3.8
CC(1/2)	0.990	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350