3VRS

Crystal structure of fluoride riboswitch, soaked in 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]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	1.7712
Spacegroup name	P 21 21 2
Unit cell lengths	57.846, 77.203, 42.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.779 - 2.603
R-factor	0.2238
Rwork	0.220
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4enb
RMSD bond length	0.028
RMSD bond angle	0.884
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.600
Rmerge	0.081
Number of reflections	6020
<I/σ(I)>	11
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	0.1 M sodium cacodylate, pH 7.0, 20 mM spermine, 160 mM potassium chloride, 50 mM manganese chloride, 20% MPD, VAPOR DIFFUSION, temperature 293K