7PVT

Crystal structure of the v-Src SH3 domain Q128R mutant in complex with the synthetic peptide VSL12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-16
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 32
Unit cell lengths	51.227, 51.227, 46.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.180 - 1.600
R-factor	0.1794
Rwork	0.178
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ner
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	17.180	17.180	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.063	0.068	0.802
Rmeas	0.069	0.075	0.870
Rpim	0.026	0.032	0.335
Total number of observations	116716	588	5963
Number of reflections	17900	97	895
<I/σ(I)>	14.2	33	1.9
Completeness [%]	99.6	89.3	100
Redundancy	6.5	6.1	6.7
CC(1/2)	0.998	0.991	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	283	2.4 M ammonium sulfate, 10% glicerol, 5% PEG300, 40 mM LiCl, 0.1M MES