8VPV

Class III PreQ1 riboswitch mutant delta84

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	2020-12-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 65 2 2
Unit cell lengths	82.685, 82.685, 282.007
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.290 - 3.040
R-factor	0.2527
Rwork	0.248
R-free	0.29970
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.001
RMSD bond angle	0.333
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]	39.290	3.310
High resolution limit [Å]	3.040	3.040
Rmerge	0.113	0.662
Rmeas	0.124
Rpim	0.056	0.327
Number of reflections	11152	1954
<I/σ(I)>	8.9	1.9
Completeness [%]	99.9	100
Redundancy	9.1	9.1
CC(1/2)	0.911	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	3.5 M Sodium Malonate