6FNM

Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with Dasatinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918400
Spacegroup name	P 1 21 1
Unit cell lengths	45.941, 54.111, 62.162
Unit cell angles	90.00, 110.45, 90.00

Refinement procedure

Resolution	43.044 - 1.157
R-factor	0.1837
Rwork	0.184
R-free	0.19450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vwu
RMSD bond length	0.008
RMSD bond angle	1.138
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]	43.044	1.220
High resolution limit [Å]	1.157	1.157
Rmeas	0.068
Number of reflections	98097	14620
<I/σ(I)>	9.9	0.31
Completeness [%]	97.5	90.2
Redundancy	3.69	3.42
CC(1/2)	0.998	0.121

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	25 % PEG5000 MME, 15 % Glycerol, 0.15 M MgCl2, 0.1 M TRIS pH7.5