8FZA

Class I type III preQ1 riboswitch from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.8500
Spacegroup name	P 1 2 1
Unit cell lengths	46.739, 32.272, 51.206
Unit cell angles	90.00, 96.93, 90.00

Refinement procedure

Resolution	36.530 - 2.300
R-factor	0.2099
Rwork	0.205
R-free	0.25220
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.465
Data reduction software	XDS (version 10-Jan-2022)
Data scaling software	Aimless (0.7.7)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.530	2.380
High resolution limit [Å]	2.300	2.300
Rpim	0.024	0.271
Number of reflections	12805	1388
<I/σ(I)>	16.7	2.8
Completeness [%]	98.1	97.9
Redundancy	22	16.3
CC(1/2)	0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	31% MPD, 0.05 M Na-cacodylate pH 6.0, 0.012 spermine-HCl, 0.1 M KCl and 0.002 M MgCl2, 0.005 M MnCl2-tetrahydrate