7YI6

bnAb 3D1 in complex with 6-mer HR1 peptide from HCoV-229E S protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2022-01-17
Detector	MAR CCD 130 mm
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	73.906, 72.703, 86.264
Unit cell angles	90.00, 109.54, 90.00

Refinement procedure

Resolution	45.860 - 2.280
R-factor	0.1941
Rwork	0.193
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kvf
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.650	2.340
High resolution limit [Å]	2.280	2.280
Number of reflections	39040	3986
<I/σ(I)>	11.5
Completeness [%]	99.2
Redundancy	5.6
CC(1/2)	1.000	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M Ammonium sulfate, 0.1 M BIS-TRIS buffer at pH 5.5 and 25% (w/v) polyethylene glycol 3350