4PCO

Crystal structure of double-stranded RNA with four terminal GU wobble base pairs

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795, 1.3624, 1.6053, 1.6068
Spacegroup name	C 1 2 1
Unit cell lengths	36.616, 43.224, 83.256
Unit cell angles	90.00, 102.48, 90.00

Refinement procedure

Resolution	27.521 - 1.320
R-factor	0.1567
Rwork	0.155
R-free	0.18350
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.038
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	PHENIX (1.9_1678)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.289	27.521	1.390
High resolution limit [Å]	1.320	4.170	1.320
Rmerge		0.045	0.667
Rmeas	0.070
Rpim	0.023	0.017	0.289
Total number of observations	236794	10406	31195
Number of reflections	29968
<I/σ(I)>	18.2	61.4	2.7
Completeness [%]	100.0	99.8	100
Redundancy	7.9	10.5	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	15 mg/mL RNA, 26.2% (v/v) 2-methyl-2,4-pentanediol (MPD), 0.04 M lithium chloride, 0.03 M cobalt hexamine chloride, 0.04 M sodium cacodylate, pH 5.5