7PW0

Crystal structure of the c-Src SH3 domain N112G-N113Y-T114N-E115H mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-12
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.97924
Spacegroup name	P 1 21 1
Unit cell lengths	37.259, 93.138, 80.439
Unit cell angles	90.00, 97.25, 90.00

Refinement procedure

Resolution	19.950 - 1.700
R-factor	0.2093
Rwork	0.208
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jz4
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.950	19.950	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.075	0.038	1.307
Rmeas	0.085	0.044	1.497
Rpim	0.040	0.021	0.721
Total number of observations	255084	1499	13079
Number of reflections	59211	375	3116
<I/σ(I)>	9.4	27.1	1.1
Completeness [%]	99.0	87.1	98.7
Redundancy	4.3	4	4.2
CC(1/2)	0.998	0.998	0.542

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	1.8 M ammonium sulfate, 5% PEG 300, 10% glycerol, 40mM LiCl, 0.1M AcONa