8BK0

Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000030
Spacegroup name	P 1 21 1
Unit cell lengths	32.715, 107.722, 40.647
Unit cell angles	90.00, 108.94, 90.00

Refinement procedure

Resolution	38.480 - 1.700
R-factor	0.16804
Rwork	0.167
R-free	0.19476
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8bio
RMSD bond length	0.010
RMSD bond angle	1.553
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.450	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	26328	3575
<I/σ(I)>	11.1	1.9
Completeness [%]	90.1
Redundancy	6.6
CC(1/2)	0.998	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG3350, 10% ethylene glycol, 0.1M bis-tris-propane pH 6.5, 0.2M sodium nitrate