7SZW

JAK2 JH2 in complex with JAK249

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-20
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	44.710, 57.366, 60.749
Unit cell angles	90.00, 110.83, 90.00

Refinement procedure

Resolution	41.412 - 1.906
R-factor	0.194572441083
Rwork	0.193
R-free	0.22575
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5usz
RMSD bond length	0.007
RMSD bond angle	0.810
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.906	1.906
Rmerge	0.105	0.696
Rmeas		0.775
Rpim		0.333
Number of reflections	22230	1081
<I/σ(I)>	19.93	2.347
Completeness [%]	99.8
Redundancy	7.7
CC(1/2)	0.970	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000