9C1R

Crystal structure of mutant cMET D1228N kinase domain in complex with inhibitor compound 13

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-13
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	38.604, 62.248, 113.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.280 - 1.590
R-factor	0.17
Rwork	0.169
R-free	0.19470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.790
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.280	1.647
High resolution limit [Å]	1.590	1.590
Rmeas	0.123	0.567
Rpim	0.039	0.240
Number of reflections	37674	1859
<I/σ(I)>	11	2.2
Completeness [%]	100.0
Redundancy	9.2	5.2
CC(1/2)	0.998	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	22% PEG 3350 0.1M Bis-Tris pH6.5