8XZR

Crystal structure of folE riboswitch with 8-NH2 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	50.299, 58.590, 61.119
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.150 - 1.830
R-factor	0.2197
Rwork	0.216
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.217
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]	32.370	1.320
High resolution limit [Å]	1.260	1.260
Rmerge	0.044	3.183
Rmeas	0.046	4.012
Rpim	0.013	2.373
Total number of observations	354279
Number of reflections	33977	1111
<I/σ(I)>	14.3
Completeness [%]	67.5
Redundancy	10.4	2.4
CC(1/2)	1.000	0.123

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