5WIK

JAK2 Pseudokinase in complex with BI-D1870

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	57.125, 60.844, 89.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.357 - 2.600
R-factor	0.2108
Rwork	0.206
R-free	0.25090
RMSD bond length	0.002
RMSD bond angle	0.584
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.190	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.116	0.841
Rpim	0.079	0.562
Number of reflections	10000	958
<I/σ(I)>	12.4	2.2
Completeness [%]	99.2	98.76
Redundancy	5.9	6
CC(1/2)	0.996	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	200 mM Sodium Acetate, 100 mM Tris-HCl, 18%-30%(w/v) polyethylene glycol 4000