6HEW

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT069

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	2016-12-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97627
Spacegroup name	P 1 21 1
Unit cell lengths	32.788, 107.240, 40.538
Unit cell angles	90.00, 108.61, 90.00

Refinement procedure

Resolution	38.418 - 1.268
R-factor	0.1976
Rwork	0.197
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fnf
RMSD bond length	0.008
RMSD bond angle	0.948
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]	38.420	1.340
High resolution limit [Å]	1.260	1.260
Rmeas	0.203
Number of reflections	69838	10407
<I/σ(I)>	5.86	0.25
Completeness [%]	98.2	91
Redundancy	6.35	5.98
CC(1/2)	0.996	0.120

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	37.5 % MPD/PEG1000/PEG3350 (MD), 0.1 M Amino Acids Mix (MD), 0.1 M Bis/Tris pH 6.0