9LKV

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	289
Detector technology	PIXEL
Collection date	2022-12-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	100.415, 44.993, 51.508
Unit cell angles	90.00, 116.20, 90.00

Refinement procedure

Resolution	43.160 - 2.130
R-factor	0.2346
Rwork	0.231
R-free	0.26490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.160	2.240
High resolution limit [Å]	2.130	2.130
Rmerge	0.058	0.954
Rmeas	0.064	1.036
Rpim	0.025	0.400
Total number of observations	76012	10962
Number of reflections	11392	1654
<I/σ(I)>	14.2	2.3
Completeness [%]	97.4
Redundancy	6.7	6.6
CC(1/2)	0.999	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.08 M Sodium chloride, 0.04 M sodium cacodylate trihydrate 7.0, 30 % v/v 2-Methyl-2,4-pentanediol, 0.012 M spermine tetrahydrochloride