3SD3

The structure of the tetrahydrofolate riboswitch containing a U25C mutation

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	2010-12-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1051
Spacegroup name	P 21 21 21
Unit cell lengths	27.520, 68.590, 158.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.895 - 1.950
R-factor	0.2307
Rwork	0.229
R-free	0.24310
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.502
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	PHENIX (dev_572)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.922	62.895	2.010
High resolution limit [Å]	1.950	8.740	1.950
Rmerge		0.015	0.456
Total number of observations		767	5747
Number of reflections	22136
<I/σ(I)>	20.2	39.5	1.7
Completeness [%]	98.1	86.9	98
Redundancy	3.5	2.9	3.7

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