9E9O

SARS-CoV-2 SL5 crystal structure Cesium derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.89173
Spacegroup name	P 32 2 1
Unit cell lengths	95.991, 95.991, 114.351
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.000 - 3.510
R-factor	0.1709
Rwork	0.167
R-free	0.20970
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.173
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	3.636
High resolution limit [Å]	3.510	3.510
Rmerge	0.092	4.844
Number of reflections	14771	1470
<I/σ(I)>	12.77	0.52
Completeness [%]	99.6
Redundancy	10
CC(1/2)	0.997	0.247

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	1.2-1.4 M sodium citrate, 0.1 M HEPES-NaOH, pH 6.5-7.5 reservoir mixed in ratios of 1:2, 1:1, or 2:1 with folded RNA solution containing 25 mM HEPES-KOH, pH 7.4, 150 mM KCl, 10 mM MgCl2