8JN8

Crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	51.189, 82.910, 106.623
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.146 - 1.902
R-factor	0.2118
Rwork	0.210
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.965
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.150	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	35546	3029
<I/σ(I)>	22.77
Completeness [%]	97.6
Redundancy	12.8
CC(1/2)	0.991	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2M tri-Lithium citrate, 20%(w/v) PEG 3350