+Open data
-Basic information
Entry | Database: PDB / ID: 7qua | ||||||||||||||||||||||||||||||||||||||||
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Title | Duplex RNA containing Xanthosine-Cytosine base pairs | ||||||||||||||||||||||||||||||||||||||||
Components | RNA (5'-R(*Keywords | RNA / modified base | Function / homology | RNA / RNA (> 10) | Function and homology information Biological species | synthetic construct (others) | Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1 Å | Authors | Ennifar, E. / Micura, R. | Funding support | Austria, 5items |
Citation | Journal: Nucleic Acids Res. / Year: 2022 | Title: Towards a comprehensive understanding of RNA deamination: synthesis and properties of xanthosine-modified RNA. Authors: Mair, S. / Erharter, K. / Renard, E. / Brillet, K. / Brunner, M. / Lusser, A. / Kreutz, C. / Ennifar, E. / Micura, R. History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7qua.cif.gz | 40.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7qua.ent.gz | 23.4 KB | Display | PDB format |
PDBx/mmJSON format | 7qua.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qu/7qua ftp://data.pdbj.org/pub/pdb/validation_reports/qu/7qua | HTTPS FTP |
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-Related structure data
Related structure data | 7qshC 7qtnC 2q1rS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: RNA chain | Mass: 3869.352 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) | ||||||
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#2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.31 Å3/Da / Density % sol: 46.82 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: Na cacodylate pH7.0, MPD, spermine, NaCl, MgCl2 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 0.9 Å |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Jun 18, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9 Å / Relative weight: 1 |
Reflection | Resolution: 0.96→50 Å / Num. obs: 220228 / % possible obs: 90 % / Redundancy: 11.2 % / Biso Wilson estimate: 9.34 Å2 / CC1/2: 1 / Net I/σ(I): 18.9 |
Reflection shell | Resolution: 0.96→0.98 Å / Num. unique obs: 470 / CC1/2: 0.05 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2Q1R Resolution: 1→24.8 Å / SU ML: 0.184 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 19.4338 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.4 Å / VDW probe radii: 0.6 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 15.57 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1→24.8 Å
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Refine LS restraints |
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LS refinement shell |
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