5NK3

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1l

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91990
Spacegroup name	P 1
Unit cell lengths	32.804, 40.918, 52.010
Unit cell angles	75.90, 80.88, 70.53

Refinement procedure

Resolution	37.758 - 1.586
R-factor	0.195
Rwork	0.193
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i9u
RMSD bond length	0.009
RMSD bond angle	1.163
Data reduction software	XDS (XDSapp 2.0)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.769	1.681
High resolution limit [Å]	1.586	1.586
Rmeas	0.109	1.045
Number of reflections	32062	4935
<I/σ(I)>	6.45	1.02
Completeness [%]	95.9	91.6
Redundancy	2.55	2.53
CC(1/2)	0.996	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	37.5% MPD/PEG1000/PEG3350 (MD), 0.3 M Amino Acids Mix (MD), 0.1 M MES pH6.0