7A39

Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 7.0

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	2019-06-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	31.507, 40.546, 36.118
Unit cell angles	90.00, 97.51, 90.00

Refinement procedure

Resolution	19.440 - 1.650
R-factor	0.204
Rwork	0.203
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz4
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.440	19.440	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.044	0.029	0.405
Rmeas	0.051	0.033	0.514
Rpim	0.026	0.017	0.310
Total number of observations		209	1055
Number of reflections	20931	63	449
<I/σ(I)>	9.3	21.5	1.5
Completeness [%]	98.6	82.9	86
Redundancy	3.5	3.3	2.3
CC(1/2)	0.999	0.999	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	2M ammomium sulfate, 0.1M Hepes