8XZK

Crystal structure of folE riboswitch

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	2022-01-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	45.282, 55.624, 61.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.550 - 2.580
R-factor	0.2053
Rwork	0.199
R-free	0.26270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.370	2.720
High resolution limit [Å]	2.580	2.580
Rmerge	0.093	1.530
Rmeas	0.098	1.607
Rpim	0.028	0.477
Total number of observations	55367	1902
Number of reflections	4721	188
<I/σ(I)>	16.9	1.4
Completeness [%]	89.0
Redundancy	11.7	10.1
CC(1/2)	0.998	0.766

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