4JAH

Crystal structure of 2-Selenouridine containing RNA

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]	100
Detector technology	CCD
Collection date	2012-07-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	46.444, 46.444, 120.612
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.220 - 1.500
R-factor	0.20975
Rwork	0.208
R-free	0.23807
Structure solution method	246D
RMSD bond length	0.014
RMSD bond angle	2.305
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.222	1.550
High resolution limit [Å]	1.500	1.500
Number of reflections	24253
<I/σ(I)>	20.5	2.4
Completeness [%]	97.3	64.6
Redundancy	4.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	10% v/v MPD, 40 mM NaCacodylate pH 7.0, 12 mM Spermine tetra-HCl, 80 mM Sodium Chloride, 12mM Potassium Chloride, 20 mM Magnesium Chloride , VAPOR DIFFUSION, HANGING DROP, temperature 298K