8XZM

Crystal structure of folE riboswitch with DHN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	48.808, 57.085, 63.422
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.540 - 1.980
R-factor	0.2096
Rwork	0.208
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.088
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	2.010
High resolution limit [Å]	1.980	5.370	1.980
Rmerge	0.120	0.091	0.673
Rmeas	0.127	0.098	0.702
Rpim	0.041	0.034	0.197
Total number of observations	149384
Number of reflections	12927	728	614
<I/σ(I)>	5.7
Completeness [%]	99.9	99.5	100
Redundancy	11.6	8.6	12.4
CC(1/2)	0.989	0.997	0.925

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