9LMC

Crystal structure of Guanine-II riboswitch in complex with guanine soaked with Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-06-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.54975
Spacegroup name	P 2 2 21
Unit cell lengths	119.425, 37.719, 94.496
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.480 - 2.970
R-factor	0.2313
Rwork	0.226
R-free	0.27320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.190
Data reduction software	autoPROC
Data scaling software	XDS
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	119.430	3.130
High resolution limit [Å]	2.970	2.970
Rmerge	0.107	0.424
Rmeas	0.121	0.497
Rpim	0.056	0.255
Number of reflections	18498	1280
<I/σ(I)>	10.5
Completeness [%]	99.4
Redundancy	8
CC(1/2)	0.999	0.976

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 pH 7.0, 30% v/v (+/-)-2-Methyl-2,4-pentanediol, 0.012 M Spermine tetrahydrochloride