8K78

Crystal structure of cMET kinase domain bound by TPX-0022

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	2021-05-30
Detector	ADSC QUANTUM 1
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	45.054, 66.625, 55.294
Unit cell angles	90.00, 107.00, 90.00

Refinement procedure

Resolution	43.090 - 2.670
R-factor	0.2439
Rwork	0.239
R-free	0.28980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.536
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (3.25)
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.100	2.765
High resolution limit [Å]	2.670	2.670
Number of reflections	15491	873
<I/σ(I)>	4.1
Completeness [%]	95.8
Redundancy	3.1
CC(1/2)	0.972	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	25% PEG 8K