4RTU

Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain T96G/Q128R mutant

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	2011-04-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97620
Spacegroup name	P 65 2 2
Unit cell lengths	46.735, 46.735, 128.729
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.990 - 2.453
R-factor	0.2024
Rwork	0.200
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fj5
RMSD bond length	0.002
RMSD bond angle	0.549
Data reduction software	XDS
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.990	19.990	2.550
High resolution limit [Å]	2.450	8.840	2.450
Rmerge	0.113	0.032	0.673
Total number of observations		645	3424
Number of reflections	3463
<I/σ(I)>	17.8	34.6	3.5
Completeness [%]	99.8	91.7	100
Redundancy	9.6	6.8	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.1M sodium acetate, 1.9M ammonium sulphate, 5% PEG 200, 10% Glycerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K, VAPOR DIFFUSION, HANGING DROP