5NK7

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 1 21 1
Unit cell lengths	32.873, 107.566, 40.508
Unit cell angles	90.00, 108.76, 90.00

Refinement procedure

Resolution	38.356 - 1.889
R-factor	0.1705
Rwork	0.169
R-free	0.19950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i9u
RMSD bond length	0.006
RMSD bond angle	0.949
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]	38.356	2.000
High resolution limit [Å]	1.889	1.890
Rmeas	0.193	0.810
Number of reflections	21343
<I/σ(I)>	7.32	1.78
Completeness [%]	99.7	99.5
Redundancy	3.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	37.5% MPD/PEG1000/PEG3350 (MD), 0.25 M Amino Acids Mix (MD), 0.1 M Buffer System 3 (MD) pH8.5