7CI3

The crystal structure of the SARS-CoV-2 ORF7a ectodomain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-05-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00000
Spacegroup name	P 31
Unit cell lengths	37.545, 37.545, 56.160
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.140 - 2.200
R-factor	0.2326
Rwork	0.230
R-free	0.25980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xak
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.103	0.100	0.629
Rmeas	0.116	0.114	0.749
Rpim	0.053	0.052	0.395
Total number of observations	20004
Number of reflections	4481	234	225
<I/σ(I)>	4.7
Completeness [%]	99.7	100	96.2
Redundancy	4.5	4.9	2.8
CC(1/2)		0.868	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	100 mM Sodium acetate pH 5.0, 10% PEG 3000