5NK4

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

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	32.747, 107.910, 40.630
Unit cell angles	90.00, 108.93, 90.00

Refinement procedure

Resolution	38.430 - 1.450
R-factor	0.17
Rwork	0.169
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i9u
RMSD bond length	0.007
RMSD bond angle	1.104
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]	38.432	1.540
High resolution limit [Å]	1.450	1.450
Rmeas	0.104	0.841
Number of reflections	46987
<I/σ(I)>	9.87	1.62
Completeness [%]	99.3	97.3
Redundancy	3.75
CC(1/2)	0.997	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	37.5% MPD/PEG1000/PEG3350 (MD), 0.275 M Amino Acids Mix (MD), 0.1 M Buffer System 3 (MD) pH8.5