4FVP

Crystal structure of the Jak2 pseudokinase domain (apo form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-05-27
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	44.362, 57.143, 60.996
Unit cell angles	90.00, 110.42, 90.00

Refinement procedure

Resolution	33.600 - 2.010
R-factor	0.1813
Rwork	0.180
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m14
RMSD bond length	0.007
RMSD bond angle	1.198
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.080
High resolution limit [Å]	2.010	4.330	2.010
Rmerge	0.039	0.027	0.121
Number of reflections	19131
<I/σ(I)>	23.5
Completeness [%]	99.8	99.7	98.6
Redundancy	3.7	3.7	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	100 mM Tris/HCl, PEG 4000, pH 8.0, vapor diffusion, hanging drop, temperature 277K