8XZL

Crystal structure of folE riboswitch with DHF

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	48.904, 56.999, 62.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.490 - 2.130
R-factor	0.1999
Rwork	0.199
R-free	0.21040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.180
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	2.170
High resolution limit [Å]	2.130	5.780	2.130
Rmerge	0.096	0.083	0.814
Rmeas	0.101	0.089	0.854
Rpim	0.031	0.029	0.255
Total number of observations	122667
Number of reflections	10293	587	492
<I/σ(I)>	6.7
Completeness [%]	99.9	99.8	100
Redundancy	11.9	10.7	10.7
CC(1/2)	0.933	0.996	0.881

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