8HV5

Crystal structure of EGFR_DMX in complex with compound 7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9786
Spacegroup name	I 2 3
Unit cell lengths	144.687, 144.687, 144.687
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.18778
Rwork	0.186
R-free	0.22445
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5edq
RMSD bond length	0.011
RMSD bond angle	1.574
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.750	2.120
High resolution limit [Å]	2.060	2.060
Rmerge	0.057	1.458
Rmeas	0.059	1.515
Rpim	0.016	0.409
Total number of observations	427473	29962
Number of reflections	30952	2257
<I/σ(I)>	22.7	1.7
Completeness [%]	99.5
Redundancy	13.8	13.3
CC(1/2)	1.000	0.720

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