9V4V

Crystal structure of Guanine-II riboswitch in complex with isoxanthopterin

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	2024-04-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.10213
Spacegroup name	P 2 2 2
Unit cell lengths	37.967, 48.962, 120.526
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.260 - 3.120
R-factor	0.2473
Rwork	0.242
R-free	0.29630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.727
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.260	3.290
High resolution limit [Å]	3.120	3.120
Number of reflections	4140	610
<I/σ(I)>	7.2
Completeness [%]	94.3
Redundancy	10.9
CC(1/2)	0.977	0.981

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, and 0.012 M spermine tetrahydrochloride