7LEN

Crystal structure of the epidermal growth factor receptor extracellular region with R84K mutation in complex with epiregulin crystallized with trehalose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03318
Spacegroup name	P 21 21 21
Unit cell lengths	77.737, 86.600, 197.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.480 - 2.900
R-factor	0.2396
Rwork	0.237
R-free	0.29460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wb7
Data reduction software	XDS (20200417)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.480	2.980
High resolution limit [Å]	2.900	2.900
Rmerge	0.134	1.349
Rmeas	0.146	1.467
Rpim	0.056	0.572
Number of reflections	30250	4148
<I/σ(I)>	10.9	1.3
Completeness [%]	99.8	97.4
Redundancy	6.7	6.5
CC(1/2)	0.997	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	8 mg/ml protein, 100 mM HEPES (pH 7.5), 12% PEG3350, with 3% (w/v) D-(+)-trehalose dihydrate