7NG7

Src kinase bound to eCF506 trapped in inactive conformation

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	2018-02-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97912
Spacegroup name	P 1 21 1
Unit cell lengths	41.778, 62.594, 51.442
Unit cell angles	90.00, 98.00, 90.00

Refinement procedure

Resolution	41.410 - 1.500
R-factor	0.1818
Rwork	0.180
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mxo
RMSD bond length	0.010
RMSD bond angle	1.613
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.539
High resolution limit [Å]	1.500	1.500
Rmerge	0.067	0.763
Rpim	0.043	0.493
Number of reflections	41802	2933
<I/σ(I)>	11.7
Completeness [%]	99.4	99.52
Redundancy	3.3	3.3
CC(1/2)	0.998	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	6% PEG3350, 300mM Ammonium acetate, 0.1M HEPES pH7.5, 10mM TCEP