A: RNA 10mer duplex with two 2'-5'-linkages B: RNA 10mer duplex with two 2'-5'-linkages C: RNA 10mer duplex with two 2'-5'-linkages D: RNA 10mer duplex with two 2'-5'-linkages E: RNA 10mer duplex with two 2'-5'-linkages F: RNA 10mer duplex with two 2'-5'-linkages hetero molecules
Mass: 3206.980 Da / Num. of mol.: 6 / Source method: obtained synthetically Details: Chemically synthesized by solid phase synthesis, and purified by HPLC
Mass: 18.015 Da / Num. of mol.: 187 / Source method: isolated from a natural source / Formula: H2O
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 2.08 Å3/Da / Density % sol: 40.92 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 10% MPD (2-methyl-2,4-pentanediol), 40 mM sodium cacodylate pH 6.0, 12 mM spermine tetrahydrochloride, and 80 mM strontium (II) chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution: 1.55→1.61 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.039 / Mean I/σ(I) obs: 3.4 / % possible all: 69
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Processing
Software
Name
Version
Classification
HKL-2000
datacollection
PHASES
phasing
REFMAC
5.6.0117
refinement
HKL-2000
datareduction
HKL-2000
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.55→30 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.947 / SU B: 4.347 / SU ML: 0.071 / Cross valid method: THROUGHOUT / σ(F): -3 / ESU R: 0.124 / ESU R Free: 0.104 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.247
1153
5.2 %
RANDOM
Rwork
0.182
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obs
0.185
21233
95 %
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all
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22350
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK