6VNG

JAK2 JH1 in complex with PN2-118

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	112.394, 112.394, 70.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.939 - 2.500
R-factor	0.2134
Rwork	0.212
R-free	0.25060
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]	40.939	2.590
High resolution limit [Å]	2.500	2.500
Rmeas	0.400
Number of reflections	30608	3087
<I/σ(I)>	6.2
Completeness [%]	100.0
Redundancy	5.7
CC(1/2)	0.970	0.370

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