7LFR

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

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)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	77.593, 87.206, 198.013
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.600 - 3.200
R-factor	0.2523
Rwork	0.250
R-free	0.30260
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	Inner shell	Outer shell
Low resolution limit [Å]	99.006	43.605	3.370
High resolution limit [Å]	3.200	10.110	3.200
Rmerge		0.037	1.419
Rmeas	0.215	0.040	1.511
Rpim	0.073	0.015	0.511
Total number of observations	193914	5823	28185
Number of reflections	22984	829	3271
<I/σ(I)>	9	30.2	1.7
Completeness [%]	99.8	98.9	98.7
Redundancy	8.4	7	8.6

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, 10 mM spermine tetrahydrochloride