8F2E

Crystal Structure of the CoV-Y domain of SARS-CoV-2 Nonstructural Protein 3

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97893, 0.97908, 0.97924
Spacegroup name	P 65
Unit cell lengths	109.415, 109.415, 61.226
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.940 - 2.430
R-factor	0.192
Rwork	0.190
R-free	0.23200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	MAD-phased seleno-methionine derivative
RMSD bond length	0.010
RMSD bond angle	1.190
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.940	2.470
High resolution limit [Å]	2.430	2.430
Number of reflections	15488	773
<I/σ(I)>	31.6
Completeness [%]	97.5
Redundancy	19.5
CC(1/2)	1.000	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	20%(w/v) PEG 3350, 0.18M Tri-Ammonium Citrate
1	VAPOR DIFFUSION, HANGING DROP		277	20%(w/v) PEG 3350, 0.18M Tri-Ammonium Citrate