4EN5

Crystal structure of fluoride riboswitch, Tl-Acetate soaked

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	58.205, 77.287, 42.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.364 - 2.957
R-factor	0.233
Rwork	0.229
R-free	0.27130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4enb
RMSD bond length	0.020
RMSD bond angle	1.226
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]	2.950
Rmerge	0.088
Number of reflections	4257
<I/σ(I)>	12.9
Redundancy	3.8

Crystallization Conditions

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