6XVO

Crystal structure of the intertwined dimer of the c-Src SH3 domain without ATCUN motif

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)	0.97911
Spacegroup name	P 65 2 2
Unit cell lengths	47.007, 47.007, 126.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.370 - 1.700
R-factor	0.2038
Rwork	0.203
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz3
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.370	19.370	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.033	0.030	0.705
Rmeas	0.036	0.034	0.755
Rpim	0.013	0.015	0.265
Total number of observations		438	4036
Number of reflections	16687	88	506
<I/σ(I)>	26.1	55.5	2.6
Completeness [%]	99.8	90.2	100
Redundancy	7.4	5	8
CC(1/2)	0.999	0.999	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	2.5 ammonium sulfate, 5% PEG 300, 0.1 sodium acetate