8BOH

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 8

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	2020-10-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	32.700, 106.580, 40.390
Unit cell angles	90.00, 108.52, 90.00

Refinement procedure

Resolution	38.300 - 1.420
R-factor	0.1587
Rwork	0.158
R-free	0.17420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q7d
RMSD bond length	0.012
RMSD bond angle	1.137
Data reduction software	XDS
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.300	1.500
High resolution limit [Å]	1.420	1.420
Rmeas	0.011	0.174
Number of reflections	49017	7704
<I/σ(I)>	11.52	1.08
Completeness [%]	98.7	96.4
Redundancy	6.8	6.57
CC(1/2)	1.000	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	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 Tris-HCl pH 6.5, 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)