4OMM

Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant N113S

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	2011-01-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97620
Spacegroup name	P 65 2 2
Unit cell lengths	46.950, 46.950, 126.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.357 - 1.900
R-factor	0.1755
Rwork	0.174
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz4
RMSD bond length	0.010
RMSD bond angle	1.369
Data reduction software	XDS
Data scaling software	SCALA (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]	40.660	19.360	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.076	0.558	0.026
Number of reflections	7023
<I/σ(I)>	24.8	52.7	6.2
Completeness [%]	99.4	91.3	98.8
Redundancy	16.3	12.3	17.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.1M sodium acetate, 1.7 M ammonium sulphate, 5 %PEG 300, 10%Glicerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K