3F3T

Kinase domain of cSrc in complex with inhibitor RL38 (Type III)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	90
Detector technology	CCD
Collection date	2008-06-26
Detector	MARRESEARCH
Wavelength(s)	0.978960
Spacegroup name	P 1
Unit cell lengths	42.010, 63.490, 74.990
Unit cell angles	78.71, 89.71, 89.91

Refinement procedure

Resolution	36.710 - 2.500
R-factor	0.246
Rwork	0.244
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oiq
RMSD bond length	0.018
RMSD bond angle	1.738
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000		2.750
High resolution limit [Å]	2.500	16.000	2.500
Rmerge	0.061	0.023	0.233
Number of reflections	24911	95	6327
<I/σ(I)>	17.03	47	6.7
Completeness [%]	94.8	94.1	97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	293	10% PEG 4000, 0.05M sodium acetate, 4% glycerol, 0.1M MES , pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K