8HV2

Crystal structure of EGFR_wt in complex with covalently bound fragment 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	I 2 3
Unit cell lengths	145.453, 145.453, 145.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.800
R-factor	0.1794
Rwork	0.177
R-free	0.21645
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5edq
RMSD bond length	0.007
RMSD bond angle	1.478
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]	59.381	2.880
High resolution limit [Å]	2.798	2.798
Rmerge	0.124	2.124
Rmeas	0.130	2.219
Rpim	0.039	0.641
Number of reflections	11590	584
<I/σ(I)>	15.4	1.3
Completeness [%]	90.6	56.2
Redundancy	10.8	11.9
CC(1/2)	0.999	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	0.1M TRIS pH 7.0, 1.2M Sodium citrate