5NK9

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2e

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	32.794, 107.628, 40.496
Unit cell angles	90.00, 108.75, 90.00

Refinement procedure

Resolution	38.348 - 1.588
R-factor	0.1637
Rwork	0.162
R-free	0.19450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i9u
RMSD bond length	0.007
RMSD bond angle	1.136
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]	38.348	1.645
High resolution limit [Å]	1.588	1.588
Rmeas	0.125	0.937
Number of reflections	35302	3431
<I/σ(I)>	12.16	2.04
Completeness [%]	98.5	96.2
Redundancy	6.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	37.5% MPD/PEG1000/PEG3350 (MD), 0.1 M Amino Acids Mix (MD), 0.1 M Hepes pH6.5