7REX

PreQ1-1 (type-1) riboswitch in complex with tandem stacked metabolites

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	2019-12-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9800
Spacegroup name	P 32 2 1
Unit cell lengths	57.797, 57.797, 153.635
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.800 - 2.600
R-factor	0.2355
Rwork	0.232
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fu2
Data reduction software	XDS (Mar 15, 2019)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.83)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.800	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.096	0.880
Rpim	0.071	0.677
Number of reflections	17419	1382
<I/σ(I)>	8.6	2
Completeness [%]	99.6	99.1
Redundancy	4.7	4.8
CC(1/2)	0.994	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.08 M KCl, 0.012 M NaCl, 30% MPD, 0.04 M NaCacodylate pH 5.5, 0.002 M Hexamine Cobalt (III) Chloride