9LKW

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	I 2 2 2
Unit cell lengths	49.485, 71.232, 115.653
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.640 - 2.280
R-factor	0.2126
Rwork	0.212
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.214
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]	60.650	2.400
High resolution limit [Å]	2.280	2.280
Rmerge	0.057	0.899
Rmeas	0.061	0.942
Rpim	0.019	0.279
Total number of observations		15482
Number of reflections	8914	1393
<I/σ(I)>	13.4	2.9
Completeness [%]	92.0
Redundancy	10.4	11.1
CC(1/2)	0.999	0.969

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