8JN9

Crystal structure of c-Src in complex with covalent inhibitor LW-Srci-8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL17B
Synchrotron site	NFPSS
Beamline	BL17B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	51.012, 83.110, 106.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.036 - 2.724
R-factor	0.2026
Rwork	0.199
R-free	0.27850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.332
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.600	2.870
High resolution limit [Å]	2.720	2.720
Number of reflections	12417	1827
<I/σ(I)>	12.1
Completeness [%]	97.5
Redundancy	7
CC(1/2)	0.997	0.763

Crystallization Conditions

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