7VNG

Crystal structure of human coronavirus 229E spike protein receptor-binding domain in complex with S11 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-01-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	C 2 2 2
Unit cell lengths	113.598, 174.678, 97.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.070 - 3.800
R-factor	0.2814
Rwork	0.280
R-free	0.31760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vn9
RMSD bond length	0.003
RMSD bond angle	0.645
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.100	4.000
High resolution limit [Å]	3.650	3.650
Rmerge	0.203	3.116
Rmeas	0.212	3.242
Rpim	0.059	1.229
Number of reflections	20687	2600
<I/σ(I)>	7.9	0.9
Completeness [%]	100.0	100
Redundancy	12.5	13.1
CC(1/2)	0.998	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	3.6M Sodium Formate, 10% Glycerol