6HEU

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT058

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	2017-11-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000000
Spacegroup name	P 1 21 1
Unit cell lengths	32.912, 107.662, 40.725
Unit cell angles	90.00, 108.87, 90.00

Refinement procedure

Resolution	38.535 - 1.719
R-factor	0.1869
Rwork	0.186
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fnf
RMSD bond length	0.008
RMSD bond angle	0.993
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]	38.535	1.820
High resolution limit [Å]	1.719	1.719
Rmeas	0.344
Number of reflections	28313	4466
<I/σ(I)>	5.02	0.38
Completeness [%]	98.8	96.8
Redundancy	6.28	5.47
CC(1/2)	0.986	0.101

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	48.75 % MPD/PEG1000/PEG3350 (MD), 0.1 M Amino Acids Mix (MD), 0.1 M Buffer 3 Tris/Bicine pH 8.5 (MD)