8BOD

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 20

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	PIXEL
Collection date	2021-10-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	32.720, 107.250, 40.550
Unit cell angles	90.00, 108.73, 90.00

Refinement procedure

Resolution	38.400 - 1.500
R-factor	0.1616
Rwork	0.160
R-free	0.18540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q7d
RMSD bond length	0.005
RMSD bond angle	0.915
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.410	1.590
High resolution limit [Å]	1.500	1.500
Rmeas	0.014	0.130
Number of reflections	42245	6717
<I/σ(I)>	8.48	1.36
Completeness [%]	99.6
Redundancy	6.82
CC(1/2)	0.990	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	37,5 % Precipitant Mix 4 (25% (v/v) Hexylene glycol, 25% (w/v) Poly(ethylene glycol) 1000, 25% (w/v) Poly(ethylene glycol) 3350), 0.1M Mes pH 6.0, 0.1 M Amino acids mix (0.2 M DL-Alanine, 0.2M DL-Glutamic acid monohydrate, 0.2M DL-Lysine monohydrochloride, 0.2M DL-Serine, 0.2M Glycine)