4FVQ

Crystal structure of the Jak2 pseudokinase domain (Mg-ATP-bound form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-11-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	44.632, 57.548, 60.967
Unit cell angles	90.00, 110.85, 90.00

Refinement procedure

Resolution	41.700 - 1.750
R-factor	0.176
Rwork	0.175
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m14
RMSD bond length	0.009
RMSD bond angle	1.384
Data reduction software	DENZO
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.066	0.036	0.431
Number of reflections	29027
<I/σ(I)>	6.3
Completeness [%]	99.3	100	93.6
Redundancy	6.4	6.6	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	100 mM Tris/HCl, PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K