4RTX

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-14
Detector	PSI PILATUS 6M
Wavelength(s)	0.979491
Spacegroup name	P 1 21 1
Unit cell lengths	40.091, 49.966, 59.845
Unit cell angles	90.00, 95.51, 90.00

Refinement procedure

Resolution	34.731 - 1.320
R-factor	0.1728
Rwork	0.171
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz4
RMSD bond length	0.013
RMSD bond angle	1.550
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.30)
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.910	39.910	1.340
High resolution limit [Å]	1.320	7.230	1.320
Rmerge	0.106	0.069	0.579
Total number of observations		1116	8570
Number of reflections	54530
<I/σ(I)>	7.2	12.5	2.5
Completeness [%]	98.5	97.6	96.9
Redundancy	3.2	3.1	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M Hepes, 1.4M ammonium sulphate, 5mM NiCl2, 5mM Methyl beta cyclodextrin, 5mM Glicine, pH 7.5, vapor diffusion, hanging drop, temperature 298K