8HV1

Crystal structure of EGFR_DMX in complex with covalently bound fragment 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	I 2 3
Unit cell lengths	144.910, 144.910, 144.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.400
R-factor	0.19067
Rwork	0.189
R-free	0.21884
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5edq
RMSD bond length	0.010
RMSD bond angle	1.578
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.830	2.320
High resolution limit [Å]	2.260	2.260
Rmerge	0.061	1.556
Rmeas	0.064	1.639
Rpim	0.020	0.508
Total number of observations	247239	17201
Number of reflections	18909	1714
<I/σ(I)>	23.2	1.4
Completeness [%]	99.7
Redundancy	10.4	10
CC(1/2)	1.000	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	0.1M TRIS pH 8.5, 0.15M Sodium citrate, 25%PEG400