4HGE

JAK2 kinase (JH1 domain) in complex with compound 8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-16
Detector	ADSC QUANTUM 210r
Wavelength(s)	.9779
Spacegroup name	P 41
Unit cell lengths	111.898, 111.898, 70.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.18231
Rwork	0.181
R-free	0.22674
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b7a
RMSD bond length	0.009
RMSD bond angle	1.593
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.300
Number of reflections	37946
<I/σ(I)>	14
Completeness [%]	99.8
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	300	ammonium sulfate, sodium citrate, PEG 8000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 300K