6FNK

Crystal Structure of Ephrin B4 (EphB4) 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	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 1 21 1
Unit cell lengths	45.522, 53.577, 61.345
Unit cell angles	90.00, 110.55, 90.00

Refinement procedure

Resolution	42.626 - 1.049
R-factor	0.1955
Rwork	0.198
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vwu
RMSD bond length	0.009
RMSD bond angle	1.024
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]	42.630	1.110
High resolution limit [Å]	1.049	1.049
Rmeas	0.088
Number of reflections	123574	19294
<I/σ(I)>	8.77	0.28
Completeness [%]	95.8	92.7
Redundancy	6.84	6.77
CC(1/2)	0.999	0.128

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	10 % PEG5000 MME, 0.15 M MgCl2, 15 % Glycerol, 0.1 M TRIS pH 7.5