6XVN

Crystal structure of c-Src SH3 domain without ATCUN motif: monomer 1

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)	0.97911
Spacegroup name	P 1 21 1
Unit cell lengths	28.303, 40.525, 43.451
Unit cell angles	90.00, 104.25, 90.00

Refinement procedure

Resolution	19.130 - 1.700
R-factor	0.1561
Rwork	0.154
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz4
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.130	19.130	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.052	0.032	0.196
Rmeas	0.065	0.040	0.249
Rpim	0.038	0.024	0.151
Total number of observations		182	535
Number of reflections	15912	65	225
<I/σ(I)>	12.8	24.4	4.1
Completeness [%]	82.7	80	42
Redundancy	2.7	2.8	2.4
CC(1/2)	0.996	0.997	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	2.5 ammonium sulfate, 0.1 TRIS