7A36

Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S in 7 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	28.490, 40.532, 43.613
Unit cell angles	90.00, 104.66, 90.00

Refinement procedure

Resolution	19.270 - 1.500
R-factor	0.155
Rwork	0.154
R-free	0.17700
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]	19.270	19.270	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.092	0.109	0.245
Rmeas	0.112	0.129	0.302
Rpim	0.062	0.068	0.174
Total number of observations		236	1725
Number of reflections	25253	79	652
<I/σ(I)>	9.6	15	4.8
Completeness [%]	87.6	73.3	88.3
Redundancy	2.8	3	2.6
CC(1/2)	0.986	0.986	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	3M ammomium sulfate, 0.1M Tris