2QQ7

Crystal structure of drug resistant SRC kinase domain with irreversible inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9998
Spacegroup name	P 1
Unit cell lengths	42.220, 63.360, 75.060
Unit cell angles	78.58, 89.08, 89.87

Refinement procedure

Resolution	73.520 - 2.380
R-factor	0.217
Rwork	0.214
R-free	0.26600
RMSD bond length	0.018
RMSD bond angle	1.841
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.565	43.410	2.510
High resolution limit [Å]	2.380	7.530	2.380
Rmerge	0.069	0.053	0.126
Total number of observations		1902	8141
Number of reflections	29936
<I/σ(I)>	5.9	9	4.6
Completeness [%]	98.0	92.6	96.9
Redundancy	2.1	2.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	16% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K