5USY

JAK2 JH1 in complex with JNJ-7706621

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-31
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	137.017, 68.965, 100.567
Unit cell angles	90.00, 127.16, 90.00

Refinement procedure

Resolution	37.619 - 2.000
R-factor	0.1777
Rwork	0.176
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b7a
RMSD bond length	0.013
RMSD bond angle	1.271
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]	37.619	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	50325
<I/σ(I)>	9.6	2.52
Completeness [%]	99.3	96.4
Redundancy	3	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1M Sodium citrate, pH 5.6 0.2 M Ammonium sulfate 30% PEG 4,000