5NJZ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-19
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 1 21 1
Unit cell lengths	32.697, 107.256, 40.466
Unit cell angles	90.00, 108.62, 90.00

Refinement procedure

Resolution	38.347 - 1.768
R-factor	0.1651
Rwork	0.163
R-free	0.19880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i9u
RMSD bond length	0.007
RMSD bond angle	1.051
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]	38.347	1.880
High resolution limit [Å]	1.768	1.770
Rmeas	0.167	1.080
Number of reflections	25768
<I/σ(I)>	12.78	2.06
Completeness [%]	99.7	99.1
Redundancy	7.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	37.5% MPD/PEG1000/PEG3350 (MD), 0.1 M Amino Acids Mix (MD), 0.1 M Hepes pH7.0