8GQC

Crystal structure of the SARS-unique domain (SUD) of SARS-CoV-2 (1.35 angstrom resolution)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	274
Detector technology	PIXEL
Collection date	2022-07-19
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.99995
Spacegroup name	P 31 2 1
Unit cell lengths	87.012, 87.012, 76.774
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.850 - 1.350
R-factor	0.1406
Rwork	0.140
R-free	0.16230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w2g
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.850	1.485
High resolution limit [Å]	1.350	1.351
Rmerge	0.042	1.733
Rpim	0.010	0.403
Number of reflections	55560	53798
<I/σ(I)>	1.2	1.7
Completeness [%]	96.0	72.1
Redundancy	20	19.4
CC(1/2)	1.000	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.20 M Lithium sulfate monohydrate, 0.10 M Tris pH= 8.50, 25% PEG3350