6FNI

Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with NVP-BHG712

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.708479
Spacegroup name	P 61
Unit cell lengths	114.215, 114.215, 53.192
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.457 - 1.468
R-factor	0.224
Rwork	0.224
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vwu
RMSD bond length	0.008
RMSD bond angle	0.852
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]	49.460	1.560
High resolution limit [Å]	1.468	1.468
Rmeas	0.134
Number of reflections	67505	10762
<I/σ(I)>	13.28	0.34
Completeness [%]	99.8	98.8
Redundancy	20	19.6
CC(1/2)	0.999	0.112

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	20 % PEG5000 MME, 0.15 M MgCl2, 15 % Glycerol, 0.1 M TRIS pH 7.5