6ITV

Crystal structure of activated c-KIT in complex with compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-18
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	59.853, 59.853, 197.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.767 - 1.881
R-factor	0.1832
Rwork	0.180
R-free	0.23060
RMSD bond length	0.006
RMSD bond angle	0.828
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	1.950
High resolution limit [Å]	1.880	4.050	1.880
Rmerge	0.055	0.025	0.654
Rmeas	0.062	0.027	0.729
Rpim	0.027	0.012	0.318
Total number of observations	154364
Number of reflections	30279	3230	2935
<I/σ(I)>	13.7
Completeness [%]	99.7	97	100
Redundancy	5.1	4.8	5.2
CC(1/2)		0.999	0.857

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, 3% 1,6-hexanediol