6ITT

Crystal structure of unactivated c-KIT in complex with compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-25
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	62.629, 63.087, 196.812
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.428 - 2.103
R-factor	0.1883
Rwork	0.186
R-free	0.23460
RMSD bond length	0.008
RMSD bond angle	0.976
Data scaling software	HKL-2000
Refinement software	PHENIX (dev_2621)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.057	0.024	0.596
Rmeas	0.068	0.028	0.701
Rpim	0.036	0.015	0.365
Number of reflections	45999	4744	4548
<I/σ(I)>	11
Completeness [%]	99.5	96.5	100
Redundancy	3.5	3.3	3.5
CC(1/2)		0.999	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	15% PEG 3350, 0.1M sodium citrate tribasic dihydrate, pH 5.6, 3% ethylene glycol, 2% benzamidine hydrochloride