4U34

Crystal Structures of RNA Duplexes Containing 2-thio-Uridine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	99
Detector technology	CCD
Collection date	2012-04-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	37.385, 38.683, 30.072
Unit cell angles	90.00, 109.18, 90.00

Refinement procedure

Resolution	22.060 - 1.350
R-factor	0.18807
Rwork	0.188
R-free	0.19788
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	434d
RMSD bond length	0.005
RMSD bond angle	1.412
Data scaling software	HKL-2000
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.400
High resolution limit [Å]	1.350	1.350
Rmerge	0.065	0.129
Number of reflections	8031
<I/σ(I)>	24.3	11.1
Completeness [%]	93.5	66.6
Redundancy	6.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	10% MPD, 40 mM Na cacodylate pH 6.0, 12 mM spermine tetra-HCl and 80 mM NaCl