8ZBF

Crystal structure of the A58-T10 DNA aptamer in complex with SARS-CoV-2 N-NTD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565
Spacegroup name	P 1 21 1
Unit cell lengths	70.970, 92.480, 77.920
Unit cell angles	90.00, 90.54, 90.00

Refinement procedure

Resolution	35.480 - 2.800
R-factor	0.2187
Rwork	0.217
R-free	0.26090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 6M3M and Double stranded DNA built by coot nucleotide builder
RMSD bond length	0.006
RMSD bond angle	0.914
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX ((1.20.1_4487))
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.480	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.167	1.322
Number of reflections	24893	1854
<I/σ(I)>	10.2	1.7
Completeness [%]	99.7
Redundancy	6.7	6.8
CC(1/2)	0.996	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.05 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 30% v/v Polyethylene glycol monomethyl ether 550