3QTI

c-Met Kinase in Complex with NVP-BVU972

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	2008-04-02
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	42.690, 47.100, 81.200
Unit cell angles	103.94, 102.58, 90.04

Refinement procedure

Resolution	39.390 - 2.000
R-factor	0.1841
Rwork	0.183
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.9.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.339	44.339	2.110
High resolution limit [Å]	2.000	6.330	2.000
Rmerge		0.036	0.432
Number of reflections	38882
<I/σ(I)>	9.1	15	1.8
Completeness [%]	96.5	96.2	95.9
Redundancy	3.9	3.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Equal Volumes Protein and a Reservoir Solution composed of 100 mM Hepes pH 7.5, 16% PEG 4000, 8% isopropanol, and 3 mM TCEP were mixed with microseeds., VAPOR DIFFUSION, HANGING DROP, temperature 291K