8KED

Crystal structure of 2'-dG-III riboswitch with guanine

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	2023-01-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	138.674, 26.182, 65.524
Unit cell angles	90.00, 113.38, 90.00

Refinement procedure

Resolution	24.300 - 2.110
R-factor	0.2143
Rwork	0.212
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.749
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.640	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.050	1.883
Rpim	0.024	1.157
Number of reflections	12561	1654
<I/σ(I)>	10.9	0.6
Completeness [%]	96.7	91.7
Redundancy	5.3	3.4
CC(1/2)	0.998	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	291	0.08 M Sodium chloride, 0.01 M Potassium chloride, 0.01 M Magnesium chloride hexahydrate, 0.04 M Sodium cacodylate trihydrate pH 6.4, 30% v/v (+/-)-2-Methyl-2,4-pentanediol, 0.012 M Spermine tetrahydrochloride, 0.1M Glycine.