5I4N

Crystal Structure of the E596A V617F Mutant JAK2 Pseudokinase Domain Bound to Mg-ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97910
Spacegroup name	P 21 21 21
Unit cell lengths	53.429, 56.965, 114.868
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.445 - 1.540
R-factor	0.1743
Rwork	0.174
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fvp
RMSD bond length	0.010
RMSD bond angle	1.371
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	114.870	1.620
High resolution limit [Å]	1.540	1.540
Rmerge	0.063	0.940
Number of reflections	52561
<I/σ(I)>	16.4	1.9
Completeness [%]	99.7	99.7
Redundancy	6.3	6.1
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M TRIS, 0.2M SODIUM ACETATE, 22% PEG 4000