4ENB

Crystal structure of fluoride riboswitch, bound to Iridium

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
Spacegroup name	P 21 21 2
Unit cell lengths	57.949, 76.466, 42.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.185 - 2.302
R-factor	0.2279
Rwork	0.225
R-free	0.25340
Structure solution method	SAD
RMSD bond length	0.029
RMSD bond angle	0.831
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]	50.000
High resolution limit [Å]	2.300
Rmerge	0.058
Number of reflections	8596
<I/σ(I)>	34.2
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	0.1 M sodium cacodylate, pH 7.0, 20 mM spermine, 0.2 M strontium chloride, 20% MPD, VAPOR DIFFUSION, temperature 293K