6Q7D

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13

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	32.725, 107.160, 40.463
Unit cell angles	90.00, 108.42, 90.00

Refinement procedure

Resolution	36.142 - 0.978
R-factor	0.1861
Rwork	0.185
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fnf
RMSD bond length	0.007
RMSD bond angle	1.167
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]	36.142	1.040
High resolution limit [Å]	0.978	0.978
Rmeas	0.109
Number of reflections	141511	19879
<I/σ(I)>	7.56	0.24
Completeness [%]	93.2	81
Redundancy	6.69
CC(1/2)	0.999	0.101

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	30 % PEG 3350, 100 mM Morpheus Amino Acids Mix, 100 mM Morpheus Buffer System 3 (Tris/Bicine)