4Y92

Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain E97T-Q128R mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 65 2 2
Unit cell lengths	46.290, 46.290, 126.550
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.797 - 2.100
R-factor	0.2116
Rwork	0.210
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz3
RMSD bond length	0.012
RMSD bond angle	1.299
Data reduction software	iMOSFLM (0.5.1)
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.800	19.800	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.073	0.021	0.749
Rpim	0.021	0.007	0.204
Total number of observations	67026	802	5331
Number of reflections	4990
<I/σ(I)>	24.3	58.9	3.9
Completeness [%]	97.6	89.6	96.6
Redundancy	13.4	9.7	14.1
CC(1/2)	0.999	1.000	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	0.1M sodium acetate, 2.2 M ammonium sulphate, 10 %PEG 300, 10% Glycerol