4Y1I

Lactococcus lactis yybP-ykoY Mn riboswitch bound to Mn2+

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]	294
Detector technology	PIXEL
Collection date	2014-10-15
Detector	PSI PILATUS 6M
Wavelength(s)	1.892
Spacegroup name	C 1 2 1
Unit cell lengths	67.285, 127.881, 115.324
Unit cell angles	90.00, 93.37, 90.00

Refinement procedure

Resolution	55.900 - 2.850
R-factor	0.1957
Rwork	0.193
R-free	0.22350
RMSD bond length	0.013
RMSD bond angle	0.425
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (phenix.autosol)
Refinement software	PHENIX ((phenix.refine: dev_1834))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.900	2.950
High resolution limit [Å]	2.850	2.850
Rmerge	0.136	0.470
Number of reflections	20952
<I/σ(I)>	20.5	2.87
Completeness [%]	92.0	92
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	RNA solution: 10 mM Na Cacodylate pH 7, 50 mM NaCl, 10 mM MgCl2, 2.5 mM MnCl2, Mother liquor: 14% (+/-)-2-methyl-2,4-pentanediol (MPD) , 40 mM Na cacodylate pH 7.0, 80 mM NaCl, 20 mM BaCl2, 12 mM spermine tetra-HCl, at 21 C, with 1:2 RNA: mother liquor drop ratio. Cryoprotection: 20% PEG-400 and 0.1 mM MnCl2 overnight soak.