8XZO

Crystal structure of folE riboswitch with 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	50.018, 57.795, 62.454
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.230 - 1.970
R-factor	0.2126
Rwork	0.209
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.072
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.820	1.320
High resolution limit [Å]	1.260	1.260
Rmerge	0.054	1.603
Rmeas	0.056	0.199
Rpim	0.017	0.790
Total number of observations	367905
Number of reflections	34010	1286
<I/σ(I)>	12.2
Completeness [%]	67.4
Redundancy	10.8	2.6
CC(1/2)	0.999	0.303

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