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Open data
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Basic information
Entry | Database: PDB / ID: 8his | |||||||||||||||||||||||||||||||||||||||||||||||||
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Title | Crystal structure of DNA decamer containing GuNA[Me,tBu] | |||||||||||||||||||||||||||||||||||||||||||||||||
![]() | DNA (5'-D(*![]() DNA / OLIGONUCLEOTIDE / MODIFIED BASE | Function / homology | CACODYLIC ACID / DNA | ![]() Biological species | synthetic construct (others) | Method | ![]() ![]() ![]() ![]() Aoyama, H. / Obika, S. / Yamaguchi, T. | Funding support | | ![]()
![]() ![]() Title: Mechanism of the extremely high duplex-forming ability of oligonucleotides modified with N-tert-butylguanidine- or N-tert-butyl-N'- methylguanidine-bridged nucleic acids. Authors: Yamaguchi, T. / Horie, N. / Aoyama, H. / Kumagai, S. / Obika, S. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 26.1 KB | Display | ![]() |
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PDB format | ![]() | 14.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 395.7 KB | Display | ![]() |
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Full document | ![]() | 398.1 KB | Display | |
Data in XML | ![]() | 4.5 KB | Display | |
Data in CIF | ![]() | 5.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8hu5C ![]() 8i50C ![]() 1i5wS S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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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
#1: DNA chain | Mass: 3184.204 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) #2: Chemical | ChemComp-CAD / | #3: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.99 Å3/Da / Density % sol: 38.22 % |
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Crystal grow | Temperature: 293.15 K / Method: vapor diffusion, hanging drop Details: 10% v/v (+/-)-2-Methyl-2,4-pentanediol, 0.040M Sodium cacodylate trihydrate pH 6.0, 0.012M Spermine tetrahydrochloride, 0.080M Potassium chloride, 0.020M Barium chloride |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Mar 26, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.01→20.13 Å / Num. obs: 6474 / % possible obs: 99.7 % / Redundancy: 6.5 % / CC1/2: 0.999 / Rmerge(I) obs: 0.042 / Rpim(I) all: 0.018 / Rrim(I) all: 0.046 / Χ2: 0.94 / Net I/σ(I): 55.1 |
Reflection shell | Resolution: 2.01→2.07 Å / % possible obs: 99.4 % / Redundancy: 6.4 % / Rmerge(I) obs: 0.055 / Num. measured all: 1890 / Num. unique obs: 294 / CC1/2: 0.998 / Rpim(I) all: 0.023 / Rrim(I) all: 0.06 / Χ2: 0.83 / Net I/σ(I) obs: 43.8 |
-Phasing
Phasing | Method: ![]() | |||||||||
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Phasing MR | Model details: Phaser MODE: MR_AUTO
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1I5W Resolution: 2.01→20.13 Å / SU ML: 0.19 / Cross valid method: THROUGHOUT / σ(F): 1 / Phase error: 21.63 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.01→20.13 Å
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Refine LS restraints |
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LS refinement shell |
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