5IA1

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with MLN8054

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	2015-09-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	32.714, 106.741, 40.729
Unit cell angles	90.00, 108.79, 90.00

Refinement procedure

Resolution	36.264 - 2.036
R-factor	0.183
Rwork	0.181
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mqb
RMSD bond length	0.009
RMSD bond angle	1.094
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.560	2.160
High resolution limit [Å]	2.036	2.036
Number of reflections	16840
<I/σ(I)>	9.97
Completeness [%]	99.3
Redundancy	6.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	37.5 % MPD_P1k_P3350, 0.1 M AminoAcidsMix, 0.1 M Bicin pH 7.6