6HES

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT050

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-27
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00004
Spacegroup name	P 1 21 1
Unit cell lengths	32.672, 106.111, 40.346
Unit cell angles	90.00, 108.64, 90.00

Refinement procedure

Resolution	38.230 - 1.128
R-factor	0.1815
Rwork	0.181
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fnf
RMSD bond length	0.015
RMSD bond angle	1.049
Data reduction software	XDS (XDSapp 2.0)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.230	1.200
High resolution limit [Å]	1.128	1.128
Rmeas	0.154
Number of reflections	93065	12730
<I/σ(I)>	8.04	0.56
Completeness [%]	95.4	81
Redundancy	6.47	4.92
CC(1/2)	0.998	0.193

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	37.5 % MPD/PEG1000/PEG3350 (MD), 0.1 M Amino Acids Mix (MD), 0.1 M Tris pH 6.5