8BOK

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 11

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	2021-09-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	72.140, 123.970, 33.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.070 - 2.020
R-factor	0.2177
Rwork	0.215
R-free	0.26090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ia5
RMSD bond length	0.004
RMSD bond angle	0.758
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]	47.010	2.140
High resolution limit [Å]	2.020	2.020
Rmeas	0.016	0.257
Number of reflections	20761	3257
<I/σ(I)>	12.78	0.91
Completeness [%]	99.7	98.5
Redundancy	12.7	12.68
CC(1/2)	1.000	0.430

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	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 Buffer system 3 pH 8.5 (1M BICINE, 1M Trizma base), 0.175 M Carboxylic acids Mix (0.2M Ammonium acetate, 0.2M Potassium sodium tartrate tetrahydrate, 0.2M Sodium citrate tribasic dihydrate, 0.2M Sodium formate, 0.2M Sodium oxamate)