9IVB

Crystal structure of c-Met kinase domain bound by bozitinib

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2023-01-02
Detector	ADSC QUANTUM 1
Wavelength(s)	0.97851
Spacegroup name	P 1 21 1
Unit cell lengths	54.568, 66.168, 79.617
Unit cell angles	90.00, 91.69, 90.00

Refinement procedure

Resolution	34.100 - 2.350
R-factor	0.2834
Rwork	0.248
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eob
RMSD bond length	0.006
RMSD bond angle	0.790
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.130	2.410
High resolution limit [Å]	2.350	2.350
Number of reflections	23820	1746
<I/σ(I)>	4.1
Completeness [%]	99.9
Redundancy	6.5
CC(1/2)	0.970	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	15-30% PEG8K