7NET

Crystal structure of the v-Src SH3 domain W95R-I96T 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	2019-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97910
Spacegroup name	P 65
Unit cell lengths	46.648, 46.648, 127.967
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.950 - 1.500
R-factor	0.1851
Rwork	0.185
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xvo
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.950	19.950	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.026	0.029	0.425
Rmeas	0.031	0.034	0.540
Rpim	0.016	0.018	0.326
Total number of observations		545	2306
Number of reflections	24714	155	1007
<I/σ(I)>	20.3	50.8	1.9
Completeness [%]	98.3	92.9	83.3
Redundancy	3.4	3.5	2.3
CC(1/2)	0.999	0.998	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	2M ammonium sulfate, 5% PEG 300, 10% glycerol, 40 mM LiCl and 0.1M MES