6WIW

c-Src Bound to ATP-Competitive Inhibitor I14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-06-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97950
Spacegroup name	P 1
Unit cell lengths	42.151, 63.872, 74.875
Unit cell angles	78.24, 89.67, 90.21

Refinement procedure

Resolution	34.870 - 2.300
R-factor	0.2064
Rwork	0.205
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	20IQ
RMSD bond length	0.016
RMSD bond angle	1.515
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.870	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	31009	3178
<I/σ(I)>	11.52
Completeness [%]	90.9
Redundancy	1.9
CC(1/2)	0.997	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M Bis-Tris (pH 5.5), 100 mM NaOAc, 12% PEG 3350