6N2V

Manganese riboswitch from Xanthmonas oryzae bound to Mn(II)

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]	100
Detector technology	PIXEL
Collection date	2014-10-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.769
Spacegroup name	P 21 21 21
Unit cell lengths	81.296, 85.167, 92.463
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.640 - 2.850
R-factor	0.2102
Rwork	0.209
R-free	0.22070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y1i
RMSD bond length	0.008
RMSD bond angle	0.497
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.640	2.952
High resolution limit [Å]	2.850	2.850
Rmerge	0.118	2.932
Rmeas	0.127	3.150
Rpim	0.045	1.131
Number of reflections	15512	1510
<I/σ(I)>	12.85	0.66
Completeness [%]	99.8	99.07
Redundancy	7.7	7.6
CC(1/2)	0.999	0.306

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 mM RNA in 10 mM Na Cacodylate pH 7, 50 mM NaCl, 10 mM MgCl2, mixed in a 1:1 ratio with 10% MPD, 40 mM Na Cacodylate pH 7, 12 mM spermine tetrahydrochloride, 80 mM SrCl2, 20 mM MgCl2.