7PVY

Crystal structure of the c-Src SH3 domain E93V-S94A-R95S-T96G 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	2017-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97924
Spacegroup name	P 2 21 21
Unit cell lengths	25.975, 41.504, 52.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.280 - 1.400
R-factor	0.1991
Rwork	0.198
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz4
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.280	19.280	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.064	0.089	0.540
Rmeas	0.068	0.095	0.591
Rpim	0.022	0.032	0.229
Total number of observations	105356	628	3536
Number of reflections	11493	87	552
<I/σ(I)>	16.5	28.9	2.4
Completeness [%]	98.5	91.8	96.6
Redundancy	9.2	7.2	6.4
CC(1/2)	0.997	0.990	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	1.5 M ammonium sulfate, 5% PEG 4000, 0.1M Tris