7A3C

Crystal structure of the c-Src SH3 domain mutant L100I at pH 3.0

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	2018-05-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9790
Spacegroup name	P 1 21 1
Unit cell lengths	37.477, 92.399, 37.594
Unit cell angles	90.00, 102.16, 90.00

Refinement procedure

Resolution	19.560 - 1.800
R-factor	0.1922
Rwork	0.190
R-free	0.22780
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 (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.560	19.560	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.043	0.020	0.470
Rmeas	0.054	0.025	0.591
Rpim	0.032	0.015	0.354
Total number of observations		361	1549
Number of reflections	33367	155	776
<I/σ(I)>	7.1	18.4	1
Completeness [%]	88.9	81.6	57.8
Redundancy	2.3	2.3	2
CC(1/2)	0.999	0.998	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3	298	5 mM beta-cyclodextrin, 1.5 M ammomium sulfate, 0.1M sodium citrate