4LVX

Structure of the THF riboswitch bound to tetrahydrobiopterin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1051
Spacegroup name	P 21 21 21
Unit cell lengths	26.990, 68.620, 158.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.751 - 1.900
R-factor	0.2215
Rwork	0.220
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.977
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.690	2.000
High resolution limit [Å]	1.900	1.900
Rmerge		0.221
<I/σ(I)>		5.5
Completeness [%]	99.4	99.5
Redundancy	5.7	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	303	2,4-methyl-pentanediol, spermine, sodium cacodylate, sodium chloride, dithiothreitol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 303K