7Y8J

3D1 in complex with 6-mer HR1 peptide from SARS-CoV-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	77
Detector technology	CCD
Collection date	2021-11-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	36.965, 69.810, 51.058
Unit cell angles	90.00, 110.46, 90.00

Refinement procedure

Resolution	24.590 - 1.030
R-factor	0.1338
Rwork	0.134
R-free	0.14460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kvf
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.810	1.090
High resolution limit [Å]	1.030	1.030
Number of reflections	85307	3761
<I/σ(I)>	17.4
Completeness [%]	98.1
Redundancy	3.4
CC(1/2)	0.999	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M HEPES pH7.5, 25% PEG8000