6GQM

Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98007
Spacegroup name	P 21 21 21
Unit cell lengths	87.970, 90.180, 91.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.205
Rwork	0.203
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.010
Data scaling software	XDS
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.090	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.102	1.258
Number of reflections	49740	3532
<I/σ(I)>	11	1.1
Completeness [%]	99.8	97.6
Redundancy	6.7	6.8
CC(1/2)	0.998	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	9 % PEG 8000, 18 % ethylene glycol, 0.1 M PCTP pH 6.2, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide