7Y4U

Crystal structure of cMET kinase domain bound by compound 9Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2021-10-18
Detector	ADSC QUANTUM 1
Wavelength(s)	0.97915
Spacegroup name	P 41 21 2
Unit cell lengths	65.625, 65.625, 187.911
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.610 - 2.260
R-factor	0.2401
Rwork	0.238
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sd9
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.610	2.400
High resolution limit [Å]	2.260	2.260
Number of reflections	18081	1953
<I/σ(I)>	18.9
Completeness [%]	90.2
Redundancy	15.7
CC(1/2)	1.000	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	0.1 M HEPES (pH 7.8), 15-30% (v/v) PEG 8000