3U6I

Crystal structure of c-Met in complex with pyrazolone inhibitor 58a

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	2005-09-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	72.113, 82.000, 127.008
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.2084
Rwork	0.206
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rfn
RMSD bond length	0.007
RMSD bond angle	1.090
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	20.000	2.170
High resolution limit [Å]	2.100	4.510	2.100
Rmerge	0.052	0.032	0.235
Number of reflections	21582
<I/σ(I)>	28.8
Completeness [%]	97.2	97.9	95.7
Redundancy	3.3	3.6	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	293	12% PEG 6000, 1.0 M lithium chloride, 0.1 M sodium citrate, pH 5.0, VAPOR DIFFUSION, temperature 293K