6M9H

JAK2 JH2 in complex with diaminopyrimidine JAK040

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	44.298, 57.600, 60.691
Unit cell angles	90.00, 110.17, 90.00

Refinement procedure

Resolution	56.971 - 1.790
R-factor	0.1725
Rwork	0.171
R-free	0.20630
RMSD bond length	0.008
RMSD bond angle	0.928
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.971	1.850
High resolution limit [Å]	1.790	1.790
Rmerge	1.311	7.879
Number of reflections	27116
<I/σ(I)>	14.25
Completeness [%]	98.0
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000