6VS3

JAK2 JH1 in complex with BL2-057

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)	0.9700
Spacegroup name	P 41
Unit cell lengths	112.100, 112.100, 70.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.796 - 2.000
R-factor	0.1863
Rwork	0.184
R-free	0.21840
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]	44.200	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	58916	4287
<I/σ(I)>	12.2
Completeness [%]	100.0	100
Redundancy	2
CC(1/2)	0.990	0.520

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