6VNM

JAK2 JH1 in complex with SY5-103

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	2019-10-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 41
Unit cell lengths	112.582, 112.582, 70.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.061 - 2.200
R-factor	0.1997
Rwork	0.198
R-free	0.23850
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]	41.100	2.280
High resolution limit [Å]	2.200	2.200
Rmeas	0.170
Number of reflections	87772	4492
<I/σ(I)>	10
Completeness [%]	99.9	100
Redundancy	6.7
CC(1/2)	1.000	0.410

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