4U35

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	2012-05-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	21.681, 35.158, 47.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.220 - 1.550
R-factor	0.18465
Rwork	0.183
R-free	0.21125
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	434d
RMSD bond length	0.006
RMSD bond angle	1.620
Data scaling software	HKL-2000
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.099	0.361
Number of reflections	5093
<I/σ(I)>	23.3	3.4
Completeness [%]	95.1	73.2
Redundancy	11.7	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	10% MPD, 40 mM Na cacodylate pH 7.0, 12 mM spermine tetra-HCl, 80 mM KCl and 20 mM BaCl2