2H8H

Src kinase in complex with a quinazoline inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-27
Detector	ADSC QUANTUM 4
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	49.806, 72.467, 171.566
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.670 - 2.200
R-factor	0.20686
Rwork	0.204
R-free	0.27216
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In House
RMSD bond length	0.013
RMSD bond angle	1.444
Data reduction software	MOSFLM
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.800	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.083	0.586
Number of reflections	29365
Completeness [%]	95.5	97.2
Redundancy	3.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	288	50 mM PIPES pH 6.5, 10 mM DTT, 100 mM sodium chloride and 4 to 9% PEG4000 (w/v), VAPOR DIFFUSION, SITTING DROP, temperature 288K