3SUH

Crystal structure of THF riboswitch, bound with 5-formyl-THF

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
Collection date	2011-06-11
Detector	ADSC QUANTUM 315
Spacegroup name	H 3 2
Unit cell lengths	126.597, 126.597, 149.164
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.650
R-factor	0.21138
Rwork	0.210
R-free	0.24648
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sux
RMSD bond length	0.006
RMSD bond angle	1.145
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.058	0.553
Number of reflections	13605
<I/σ(I)>	32.5
Completeness [%]	100.0	100
Redundancy	5.5	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293.15	Na-Cacodylate, pH 6.6 3.2M M Na-formate, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K