5T3Q

Crystal structure of the c-Met kinase domain in complex with a pyrazolone inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-12-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	71.627, 82.272, 127.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.1982
Rwork	0.196
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	proprietary cMet structure
RMSD bond length	0.008
RMSD bond angle	1.255
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.050	0.036	0.308
Number of reflections	23885
<I/σ(I)>	25.4
Completeness [%]	92.6	98	61.5
Redundancy	2.9	3.3	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	12% PEG 6000, 1.0 M lithium chloride, 0.1 M sodium citrate (pH 5.0)