8BOC

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 19

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	2021-12-17
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 2 21 21
Unit cell lengths	33.700, 71.720, 123.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.730 - 1.900
R-factor	0.2479
Rwork	0.246
R-free	0.28560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ia5
RMSD bond length	0.004
RMSD bond angle	0.750
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]	46.830	2.020
High resolution limit [Å]	1.900	1.900
Rmeas	0.173
Number of reflections	24427	3854
<I/σ(I)>	11.53	1.05
Completeness [%]	99.8
Redundancy	12.58
CC(1/2)	0.999	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	37,5 % MPD_PEG 1000_PEG 3350, 175 mM Morpheus Carboxylic acids Mix, 100 mM Sodium citrate tribasic dihydrate, 100 mM Morpheus Buffer System 3 pH 8.5