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Open data
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Basic information
Entry | Database: PDB / ID: 8ami | ||||||||||||||||||||||||||||
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Title | Crystal structure of AUGUGGCAU duplex with barium ions (model 2) | ||||||||||||||||||||||||||||
![]() | RNA (5'-R(*![]() RNA / UG wobble / Ba ions / UGG repeats | Function / homology | : / RNA | ![]() Biological species | ![]() Method | ![]() ![]() ![]() ![]() Kiliszek, A. / Rypniewski, W. | Funding support | | ![]()
![]() ![]() Title: Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair. Authors: Kiliszek, A. / Pluta, M. / Bejger, M. / Rypniewski, W. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 27.1 KB | Display | ![]() |
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PDB format | ![]() | 13.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 3.3 KB | Display | |
Data in CIF | ![]() | 4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8amgSC ![]() 8amjC ![]() 8amkC ![]() 8amlC ![]() 8ammC ![]() 8amnC 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 on special symmetry positions |
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Components
#1: RNA chain | Mass: 2872.751 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) ![]() #2: Chemical | #3: Chemical | ChemComp-NA / | #4: 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: 2.06 Å3/Da / Density % sol: 40.27 % |
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, sitting drop / pH: 6 Details: 0.08 M NaCl 0.02 M BaCl2 0.04 M cacodylate sodium 45% MPD 0.012 M spermine |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Aug 27, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.895 Å / Relative weight: 1 |
Reflection | Resolution: 1.79→31.5 Å / Num. obs: 8634 / % possible obs: 99.7 % / Redundancy: 4.6 % / Biso Wilson estimate: 21.67 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.09 / Net I/σ(I): 11.49 |
Reflection shell | Resolution: 1.79→1.9 Å / Rmerge(I) obs: 0.816 / Mean I/σ(I) obs: 1.89 / Num. unique obs: 1386 / CC1/2: 0.72 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 8AMG Resolution: 1.79→31.46 Å / SU ML: 0.2192 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.1995 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 27.47 Å2 | ||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.79→31.46 Å
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Refine LS restraints |
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LS refinement shell |
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