6VNC

JAK2 JH1 in complex with BL2-096

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	2019-11-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 41
Unit cell lengths	112.680, 112.680, 70.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.953 - 2.300
R-factor	0.227
Rwork	0.226
R-free	0.26860
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]	44.000	2.380
High resolution limit [Å]	2.300	2.300
Rmeas	0.264
Number of reflections	74969	4597
<I/σ(I)>	6
Completeness [%]	99.8
Redundancy	6.5
CC(1/2)	0.990	0.240

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