6U7E

HCoV-229E RBD Class III in complex with human APN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-01-21
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	99.320, 98.520, 153.620
Unit cell angles	90.00, 104.44, 90.00

Refinement procedure

Resolution	48.092 - 3.000
R-factor	0.2055
Rwork	0.203
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fyq
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16rc1_3535)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.092	48.092	3.070
High resolution limit [Å]	2.990	13.370	2.990
Rmerge	0.071	0.035	0.642
Rmeas	0.083	0.041	0.746
Total number of observations	212045
Number of reflections	58215	688	4242
<I/σ(I)>	11.06	24.73	2.15
Completeness [%]	99.8	97.3	99.9
Redundancy	3.642	3.461	3.856
CC(1/2)	0.998	0.998	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	9% PEG8000, 1 mM oxidized glutathione, 1 mM reduced glutathione, 5% glycerol, 100 mM MES, pH 6.5