7Y4T

Crystal structure of cMET kinase domain bound by compound 9I

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	65.917, 65.917, 190.495
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.500 - 2.160
R-factor	0.2165
Rwork	0.215
R-free	0.25110
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]	29.500	2.300
High resolution limit [Å]	2.160	2.160
Number of reflections	23530	2293
<I/σ(I)>	23.16
Completeness [%]	100.0
Redundancy	22.4
CC(1/2)	1.000	0.884

Crystallization Conditions

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