6GQL

Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 21 21 21
Unit cell lengths	88.900, 91.670, 92.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.200 - 2.010
R-factor	0.202
Rwork	0.201
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.960
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.270	2.060
High resolution limit [Å]	2.010	2.010
Rmerge	0.081	0.948
Number of reflections	50823	3717
<I/σ(I)>	9.7	1.6
Completeness [%]	99.9	99.8
Redundancy	6.1	5
CC(1/2)	0.998	0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	9 % PEG 3350, 18 % glycerol, 0.1 M PCTP pH 6.2, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide