8UTG

An RNA G-Quadruplex from the NS5 gene in the West Nile Virus Genome

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	2023-09-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.920100
Spacegroup name	P 32 2 1
Unit cell lengths	33.805, 33.805, 163.376
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.280 - 1.970
R-factor	0.1987
Rwork	0.194
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.877
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.280	2.020
High resolution limit [Å]	1.970	1.970
Rmerge	0.140	3.286
Rmeas	0.148	3.397
Rpim	0.039	0.850
Number of reflections	8368	567
<I/σ(I)>	11.7	2.8
Completeness [%]	99.9	100
Redundancy	14.1	14.8
CC(1/2)	0.997	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	Sitting-drop tray prepared 1:1 using an Art Robbins Crystal Gryphon. Molecular Dimensions Helix HT condition F4 (50mM KCl, 50mM Bis-Tris pH=7.0, 1.1M ammonium sulfate) yielded loopable crystals after 6 weeks. Crystals were directly flash frozen without cryoprotection