5WB7

Crystal structure of the epidermal growth factor receptor extracellular region in complex with epiregulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03
Spacegroup name	P 1 21 1
Unit cell lengths	76.647, 199.288, 87.916
Unit cell angles	90.00, 96.74, 90.00

Refinement procedure

Resolution	47.684 - 2.941
R-factor	0.2267
Rwork	0.225
R-free	0.26750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	EGFR domains I and III from PDB entry 3NJP
RMSD bond length	0.004
RMSD bond angle	0.902
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.990
High resolution limit [Å]	2.940	7.970	2.940
Rmerge	0.131	0.090	0.458
Rmeas	0.160	0.111	0.570
Rpim	0.090	0.063	0.334
Number of reflections	53585
<I/σ(I)>	5.3		1.7
Completeness [%]	97.2	98.3	89.8
Redundancy	2.8	2.9	2.3
CC(1/2)		0.975	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	294	0.03 M citric acid, 0.07 M Bis-Tris propane, 16% PEG3350