3TZ8

Kinase domain of cSrc in complex with RL104

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	2009-01-30
Detector	MARRESEARCH
Wavelength(s)	0.977032
Spacegroup name	P 1
Unit cell lengths	42.000, 63.580, 74.510
Unit cell angles	79.08, 87.69, 89.88

Refinement procedure

Resolution	41.960 - 2.700
R-factor	0.2004
Rwork	0.198
R-free	0.25830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f3v
RMSD bond length	0.008
RMSD bond angle	1.136
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (1.3.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.700	10.000	2.700
Rmerge	0.048	0.020	0.168
Rmeas		0.026	0.224
Number of reflections	20010	377	1976
<I/σ(I)>	14.91	30.53	5.07
Completeness [%]	96.2	92.4	90.3
Redundancy	2.26		2.21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	10% PEG 20000, 15% glycerol, 100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K