5UT4

JAK2 JH2 in complex with NVP-BSK805

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-14
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	45.346, 57.155, 60.758
Unit cell angles	90.00, 110.28, 90.00

Refinement procedure

Resolution	34.123 - 2.000
R-factor	0.1804
Rwork	0.179
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fvp
RMSD bond length	0.003
RMSD bond angle	0.662
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000	2.000
Number of reflections	19632
<I/σ(I)>	24.2
Completeness [%]	98.9
Redundancy	6.7

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