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Yorodumi- PDB-3gx6: Crystal structure of the T. tengcongensis SAM-I riboswitch varian... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3gx6 | ||||||
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Title | Crystal structure of the T. tengcongensis SAM-I riboswitch variant U34C/A94G bound with SAM in manganese chloride | ||||||
Components | RNA (94-MER) | ||||||
Keywords | RNA / kink-turn / four-way junction / pseudoknot / riboswitch | ||||||
Function / homology | : / S-ADENOSYLMETHIONINE / RNA / RNA (> 10) Function and homology information | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.8 Å | ||||||
Authors | Montange, R.K. / Batey, R.T. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2010 Title: Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch. Authors: Montange, R.K. / Mondragon, E. / van Tyne, D. / Garst, A.D. / Ceres, P. / Batey, R.T. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3gx6.cif.gz | 62 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3gx6.ent.gz | 45.5 KB | Display | PDB format |
PDBx/mmJSON format | 3gx6.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3gx6_validation.pdf.gz | 747.3 KB | Display | wwPDB validaton report |
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Full document | 3gx6_full_validation.pdf.gz | 750.5 KB | Display | |
Data in XML | 3gx6_validation.xml.gz | 5.8 KB | Display | |
Data in CIF | 3gx6_validation.cif.gz | 7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/gx/3gx6 ftp://data.pdbj.org/pub/pdb/validation_reports/gx/3gx6 | HTTPS FTP |
-Related structure data
Related structure data | 3gx2C 3gx3C 3gx5C 3gx7C 2gisS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: RNA chain | Mass: 30568.338 Da / Num. of mol.: 1 / Mutation: U34C, A94G / Source method: obtained synthetically Details: This sequence is derived from a naturally occurring sequence found in T. tengcongensis |
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#2: Chemical | ChemComp-SAM / |
#3: Chemical | ChemComp-MN / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.51 Å3/Da / Density % sol: 51.04 % | ||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 303 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 10 mM manganese chloride, 80 mM potassium chloride, 12 mM spermine-HCl, 40 mM cacodylate, 10% MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 303K | ||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH2R / Wavelength: 1.54 Å |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Sep 13, 2008 |
Radiation | Monochromator: Ni filter / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→20 Å / Num. obs: 7215 / % possible obs: 87.9 % / Observed criterion σ(I): 2 / Redundancy: 3.6 % / Rmerge(I) obs: 0.092 / Net I/σ(I): 9.5 |
Reflection shell | Resolution: 2.8→2.9 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.387 / Mean I/σ(I) obs: 3.3 / % possible all: 91.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: pdb entry 2GIS Resolution: 2.8→18.473 Å / SU ML: 0.55 / Cross valid method: THROUGHOUT / σ(F): 0.03 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 1.83 Å2 / ksol: 0.212 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 62.28 Å2 | ||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.8→18.473 Å
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Refine LS restraints |
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LS refinement shell |
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