7LYJ

SARS-CoV-2 frameshifting pseudoknot RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	115.465, 39.477, 39.398
Unit cell angles	90.00, 98.53, 90.00

Refinement procedure

Resolution	57.094 - 2.110
R-factor	0.2142
Rwork	0.210
R-free	0.25060
Structure solution method	SAD
RMSD bond length	0.001
RMSD bond angle	0.296
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	AutoSol
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.094	57.090	2.000
High resolution limit [Å]	1.950	8.950	1.950
Rmerge	0.102	0.068	1.436
Rmeas	0.111	0.074	1.573
Rpim	0.044	0.030	0.628
Total number of observations		901	4916
Number of reflections	12611	153	822
<I/σ(I)>	10.6	28.3	1.2
Completeness [%]	97.6	99.2	90.2
Redundancy	6.7	5.9	6
CC(1/2)	0.995	0.995	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	36-40% MPD, 40 mM Na cacodylate, pH 5.5, 20 mM MgCl2, 2 mM cobalt hexammine