8XZN

Crystal structure of folE riboswitch with BH4

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	49.277, 57.490, 62.914
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.460 - 1.820
R-factor	0.2162
Rwork	0.215
R-free	0.24430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.187
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	1.850
High resolution limit [Å]	1.820	4.940	1.820
Rmerge	0.080	0.073	1.111
Rmeas	0.084	0.077	1.161
Rpim	0.024	0.023	0.330
Total number of observations	210385
Number of reflections	16566	927	804
<I/σ(I)>	6
Completeness [%]	99.9	99.7	99.8
Redundancy	12.7	11.6	11.8
CC(1/2)	0.979	0.995	0.734

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