6FNH

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment 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	2016-09-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.03318
Spacegroup name	P 21 21 21
Unit cell lengths	56.500, 90.674, 200.316
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.953 - 1.379
R-factor	0.2056
Rwork	0.206
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i9u
RMSD bond length	0.008
RMSD bond angle	0.958
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]	49.210	1.460
High resolution limit [Å]	1.379	1.379
Rmeas	0.095
Number of reflections	212089	33386
<I/σ(I)>	10.57	0.22
Completeness [%]	99.6	98
Redundancy	13.03	12.67
CC(1/2)	0.999	0.109

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	37.5 % MPD/PEG1000/PEG3350 (MD), 0.075 M Carboxylic Acids Mix (MD), 0.1 M Buffer System 3 (MD) pH 8.5