8TOZ

Class III PreQ1 riboswitch double mutant U8C/A85G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 65 2 2
Unit cell lengths	84.082, 84.082, 280.826
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.350 - 3.000
R-factor	0.2041
Rwork	0.202
R-free	0.22210
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	0.694
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.350	3.180
High resolution limit [Å]	3.000	3.000
Rpim	0.090	0.879
Number of reflections	21799	1953
<I/σ(I)>	6.5	1.5
Completeness [%]	99.9	99.8
Redundancy	8.5	8.7
CC(1/2)	0.976	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	65% Tacsimate pH 7, 50mM Na-CacodylatepH 7, 1mM Spermine HCl, 0.006M Hexammine Cobalt (III)Chloride, 5mM Mg Acetate