7PVW

Crystal structure of the intertwined dimer of the c-Src SH3 domain E93V-S94A-R95S-T96G-N112G-N113Y-T114N-E115H 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	2018-03-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 63
Unit cell lengths	68.037, 68.037, 46.183
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.640 - 1.500
R-factor	0.1623
Rwork	0.161
R-free	0.18970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4le9
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.640	19.640	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.042	0.029	1.008
Rmeas	0.046	0.031	1.094
Rpim	0.018	0.012	0.423
Total number of observations	126662	718	6481
Number of reflections	19622	122	975
<I/σ(I)>	17.9	48.2	2.1
Completeness [%]	99.9	92.2	100
Redundancy	6.5	5.9	6.6
CC(1/2)	0.999	1.000	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	298	0.9 M ammonium sulfate, 0.1M Sodium Acetate