5T83

Structure of a guanidine-I riboswitch from S. acidophilus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.999946, 1.10532, 1.10482
Spacegroup name	P 43 21 2
Unit cell lengths	49.091, 49.091, 246.341
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.710
R-factor	0.202
Rwork	0.200
R-free	0.22600
Structure solution method	MAD
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.074	0.712
Number of reflections	15638
<I/σ(I)>	15.2
Completeness [%]	99.8	100
Redundancy	6.9	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.6	296	RNA solution: 130 uM RNA in 10 mM MgCl2, 10 mM KCl, and 10 mM HEPES-KOH, pH 7.5; Reagent: 32% MPD, 40 mM SrCl2, 12 mM spermine, 40 mM sodium acetate, pH 4.6, and 0.8 mM iridium (III) hexamine; RNA solution and reagent mixed 1:1
1	MICROBATCH	4.6	296	RNA solution: 130 uM RNA in 10 mM MgCl2, 10 mM KCl, and 10 mM HEPES-KOH, pH 7.5; Reagent: 32% MPD, 40 mM SrCl2, 12 mM spermine, 40 mM sodium acetate, pH 4.6, and 0.8 mM iridium (III) hexamine; RNA solution and reagent mixed 1:1