7A3B

Intertwined dimer of the c-Src SH3 domain mutant E106D

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	2019-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 65 2 2
Unit cell lengths	46.942, 46.942, 125.671
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.340 - 1.910
R-factor	0.2056
Rwork	0.205
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz3
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.340	19.340	1.950
High resolution limit [Å]	1.910	8.950	1.910
Rmerge	0.052	0.032	0.862
Rmeas	0.054	0.034	0.906
Rpim	0.016	0.012	0.273
Total number of observations		695	4846
Number of reflections	11146	89	459
<I/σ(I)>	23.1	46.4	2.7
Completeness [%]	92.3	90.4	100
Redundancy	11.6	7.8	10.6
CC(1/2)	1.000	1.000	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	5% PEG300, 10 mM Lithium chloride, 10% glycerol, 2.4 M ammomium sulfate, 0.1M MES