5DG5

CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR C-MET IN COMPLEX WITH ALTIRATINIB ANALOG DP-4157

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	37.130, 115.880, 90.160
Unit cell angles	90.00, 92.92, 90.00

Refinement procedure

Resolution	19.650 - 2.600
R-factor	0.2057
Rwork	0.204
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g15
RMSD bond length	0.008
RMSD bond angle	1.196
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000		2.780
High resolution limit [Å]	2.600	7.350	2.600
Rmerge	0.100	0.024	0.689
Rmeas	0.120	0.029	0.827
Total number of observations	73855
Number of reflections	23076	976	4221
<I/σ(I)>	11.36	37.65	1.97
Completeness [%]	98.3	91.8	99.3
Redundancy	3.2		3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	Protein at 9.5mg/ml in 20 mM Tris pH 8.5, 100mM NaCl, 14mM 2-mercaptoethanol with 5-molar excess of compound; crystallization condition: 1.0M diammonium hydrogen phosphate, 0.2M sodium chloride, 0.1M citrate pH 5.0 and 7.5% glycerol