6Q7E

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	32.868, 107.211, 40.516
Unit cell angles	90.00, 108.85, 90.00

Refinement procedure

Resolution	38.343 - 1.059
R-factor	0.1926
Rwork	0.192
R-free	0.21150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fnf
RMSD bond length	0.006
RMSD bond angle	1.129
Data reduction software	XDS (XDSapp 2.0)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_3318: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.343	1.120
High resolution limit [Å]	1.059	1.059
Rmeas	0.189
Number of reflections	117213	18164
<I/σ(I)>	5.85	0.26
Completeness [%]	97.2	93.3
Redundancy	6.52	6.08
CC(1/2)	0.998	0.114

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	37.5% MPD_PEG1000_PEG3350, 100 mM Alanine, 100 mM Morpheus Buffer System 3 (Tris/Bicine)