8XZQ

Crystal structure of folE riboswitch with 8-N Guanine

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	2022-09-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	49.268, 56.843, 62.778
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.630 - 1.830
R-factor	0.2105
Rwork	0.209
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.128
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.830	4.970	1.830
Rmerge	0.058	0.037	1.386
Rmeas	0.061	0.039	1.443
Rpim	0.017	0.011	0.399
Total number of observations	206350
Number of reflections	16181	905	772
<I/σ(I)>	6.2
Completeness [%]	100.0	99.6	100
Redundancy	12.8	11.5	12.7
CC(1/2)	0.997	0.999	0.724

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 MPD, 0.012 M Spermine tetrahydrochloride