6FNG

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712

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	2015-06-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.03320
Spacegroup name	P 1 21 1
Unit cell lengths	32.697, 106.926, 40.665
Unit cell angles	90.00, 109.19, 90.00

Refinement procedure

Resolution	30.880 - 1.038
R-factor	0.1728
Rwork	0.175
R-free	0.18690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i9u
RMSD bond length	0.006
RMSD bond angle	0.926
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]	38.410	1.100
High resolution limit [Å]	1.038	1.038
Rmeas	0.070
Number of reflections	122175	16628
<I/σ(I)>	12.08	0.79
Completeness [%]	96.5	81.2
Redundancy	6.29	4.72
CC(1/2)	0.999	0.352

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	37.5 % MPD/PEG1000/PEG3350 (MD), 0.2 M Lysine, 0.1 M Buffer System 3 (MD) pH 8.5