3LQ8

Structure of the kinase domain of c-Met bound to XL880 (GSK1363089)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-01-15
Detector	RIGAKU RAXIS HTC
Spacegroup name	P 1 21 1
Unit cell lengths	37.925, 43.017, 89.618
Unit cell angles	90.00, 91.61, 90.00

Refinement procedure

Resolution	35.270 - 2.020
R-factor	0.19368
Rwork	0.191
R-free	0.25164
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in house c-Met complex
RMSD bond length	0.020
RMSD bond angle	2.361
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.270	2.130
High resolution limit [Å]	2.020	2.020
Rmerge	0.047	0.268
Number of reflections	19220
<I/σ(I)>	18.6	3.8
Completeness [%]	100.0	99.9
Redundancy	3.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	12% PEG 4000, 15% isopropanol, 25 mM MOPS, pH 6.5, 150 mM NaCl, 2 mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 291K