3Q6W

Structure of dually-phosphorylated MET receptor kinase in complex with an MK-2461 analog with specificity for the activated receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-02
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	42.895, 64.091, 111.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.980 - 1.750
R-factor	0.205
Rwork	0.204
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	BUSTER-TNT (BUSTER 2.9.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.054	0.030	0.541
Number of reflections	31477
<I/σ(I)>	14.1
Completeness [%]	98.7	83.6	100
Redundancy	7	5.5	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	15.6 mg/ml protein mixed 1:1 with a reservoir solution of 150 mM malic acid, 20% PEG3350. 2-fold molar excess of ligand was added for co-crystallization., pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K