6VNL

JAK2 JH1 in complex with SG3-179

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	111.760, 70.755, 112.861
Unit cell angles	90.00, 90.43, 90.00

Refinement procedure

Resolution	41.118 - 2.400
R-factor	0.2178
Rwork	0.217
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xa4
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14-3260_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.118	2.490
High resolution limit [Å]	2.400	2.400
Rmeas	0.139
Number of reflections	132791	6836
<I/σ(I)>	5.4
Completeness [%]	99.8	99.8
Redundancy	2
CC(1/2)	0.990	0.350

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