9JGM

The Escherichia coli yybp riboswitch as a tandem riboswitch regulated by Mn2+ and pH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-02-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.24
Spacegroup name	P 61
Unit cell lengths	144.416, 144.416, 161.788
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.210 - 3.730
R-factor	0.2389
Rwork	0.236
R-free	0.28570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y1i
RMSD bond length	0.001
RMSD bond angle	0.423
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	161.310	4.090
High resolution limit [Å]	3.730	3.730
Number of reflections	20018	101363
<I/σ(I)>	6.5
Completeness [%]	100.0
Redundancy	11
CC(1/2)	0.997	0.556

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	The mother liquor contained 12 mM spermine, 20 mM MgCl2, 15 mM NaCl, 40 mM Na cacodylate pH7.0, 10% 2-methyl-2,4-pentanediol (MPD)