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Open data
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Basic information
Entry | Database: PDB / ID: 4rbz | ||||||||||||||||||||
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Title | X-ray structure of RNA containing adenosine phosphorodithioate | ||||||||||||||||||||
![]() | 5'-R(*![]() RNA / phosphorodithioate RNA / adenosine phosphorodithioate / phosphorothioate / adenosine analogue / hydrophobic / backbone | Function / homology | RNA / RNA (> 10) | ![]() Biological species | synthetic construct (others) | Method | ![]() ![]() ![]() ![]() Pallan, P.S. / Egli, M. | ![]() ![]() Title: Crystal Structure, Stability and siRNA Activity of Phosphorodithioate-Modified RNAs Authors: Pallan, P.S. / Yang, X. / Sierant, M. / Abeydeera, N.D. / Hassell, T. / Martinez, C. / Janicka, M. / Nawrot, B. / Egli, M. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 29.3 KB | Display | ![]() |
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PDB format | ![]() | 19.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 398.8 KB | Display | ![]() |
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Full document | ![]() | 398.8 KB | Display | |
Data in XML | ![]() | 3.8 KB | Display | |
Data in CIF | ![]() | 4.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4rbyC ![]() 4rc0C ![]() 2q1rS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: RNA chain | Mass: 3897.518 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: Adenosine phosphorodithioate RNA / Source: (synth.) synthetic construct (others) |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46.59 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 20 mM sodium cacodylate, 40 mM potassium chloride, 6 mM spermine tetrahydrochloride, 5% v/v MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Oct 3, 2013 |
Radiation | Monochromator: diamond(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97857 Å / Relative weight: 1 |
Reflection | Resolution: 1.18→50 Å / Num. all: 11727 / Num. obs: 11706 / % possible obs: 99.82 % / Observed criterion σ(I): 5 / Redundancy: 5.9 % / Rmerge(I) obs: 0.074 / Net I/σ(I): 45.69 |
Reflection shell | Resolution: 1.18→1.22 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.18 / Mean I/σ(I) obs: 7.81 / Num. unique all: 1159 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2Q1R Resolution: 1.18→50 Å / Cross valid method: THROUGHOUT / σ(I): 5 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.18→50 Å
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Refine LS restraints |
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