3TUC

Crystal structure of SYK kinase domain with 1-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	48.000, 69.470, 83.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.340 - 2.100
R-factor	0.2162
Rwork	0.213
R-free	0.28500
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.9.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.200
High resolution limit [Å]	2.100	2.180
Number of reflections	16933
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	25% PEG 1500, 0.1M bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K