7PVZ

Crystal structure of the intertwined dimer 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	2018-05-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97898
Spacegroup name	P 64
Unit cell lengths	48.788, 48.788, 90.930
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.160 - 2.000
R-factor	0.2319
Rwork	0.231
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4le9
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.160	19.160	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.042	0.046	0.660
Rmeas	0.044	0.049	0.695
Rpim	0.014	0.017	0.215
Total number of observations	83456	799	6392
Number of reflections	8339	92	619
<I/σ(I)>	24.2	54.5	3.6
Completeness [%]	99.9	90.1	100
Redundancy	10	8.7	10.3
CC(1/2)	0.998	0.996	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	1.5 M ammonium sulfate, 5 % PEG 300, 0.1M AcONa