7A37

Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S in 3 M urea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	28.294, 40.492, 43.259
Unit cell angles	90.00, 104.14, 90.00

Refinement procedure

Resolution	19.060 - 1.520
R-factor	0.163
Rwork	0.162
R-free	0.17940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz4
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.060	19.060	1.550
High resolution limit [Å]	1.520	8.330	1.520
Rmerge	0.086	0.045	0.477
Rmeas	0.104	0.056	0.578
Rpim	0.056	0.032	0.322
Total number of observations		251	2124
Number of reflections	26768	92	720
<I/σ(I)>	8.4	19	2.2
Completeness [%]	99.5	90.3	99.4
Redundancy	3.2	2.7	3
CC(1/2)	0.995	0.996	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	2.5 M ammomium sulfate, 0.1M Tris