9LKU

Crystal structure of the 2'-dG-III riboswitch bound to Guanosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	I 2 2 2
Unit cell lengths	48.323, 70.906, 116.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.930 - 2.740
R-factor	0.2078
Rwork	0.201
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.246
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.130	2.890
High resolution limit [Å]	2.740	2.740
Rmerge	0.090	0.655
Rmeas	0.095	0.687
Rpim	0.028	0.205
Number of reflections	5513	793
<I/σ(I)>	17.8
Completeness [%]	99.7
Redundancy	10.3	10.3
CC(1/2)	0.999	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.08 M Sodium chloride, 0.012 M Potassium chloride, 0.02 M Magnesium chloride hexahydrate, 0.04 M sodium cacodylate trihydrate 7.0, 35 % v/v 2-Methyl-2,4-pentanediol, 0.012 M spermine tetrahydrochloride