5NK5

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

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	2015-01-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 1 21 1
Unit cell lengths	32.528, 106.483, 39.390
Unit cell angles	90.00, 95.25, 90.00

Refinement procedure

Resolution	32.391 - 1.329
R-factor	0.1809
Rwork	0.180
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i9u
RMSD bond length	0.009
RMSD bond angle	1.157
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]	32.401	1.411
High resolution limit [Å]	1.329	1.329
Rmeas	0.067	1.270
Number of reflections	59439	9417
<I/σ(I)>	11.36	1.07
Completeness [%]	97.2	95.1
Redundancy	3.51	3.52
CC(1/2)	0.999	0.414

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	37.5% MPD/PEG1000/PEG3350 (MD), 0.2 M Amino Acids Mix (MD), 0.1 M Buffer System 3 (MD) pH8.5