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Yorodumi- PDB-1pwf: One Sugar Pucker Fits All: Pairing Versatility Despite Conformati... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1pwf | ||||||||||||||||||
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Title | One Sugar Pucker Fits All: Pairing Versatility Despite Conformational Uniformity in TNA | ||||||||||||||||||
Components | 5'-D(*Keywords | DNA / A-DNA / Hydrogen Bonding / Nucleic Acid Etiology / Tetrose / Four Carbon Sugar / Nucleic Acid Analogue | Function / homology | SPERMINE / DNA | Function and homology information Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.16 Å | Authors | Pallan, P.S. / Wilds, C.J. / Wawrzak, Z. / Krishnamurthy, R. / Eschenmoser, A. / Egli, M. | Citation | Journal: ANGEW.CHEM.INT.ED.ENGL. / Year: 2003 | Title: Why does TNA cross-pair more strongly with RNA than with DNA? an answer from X-ray analysis. Authors: Pallan, P.S. / Wilds, C.J. / Wawrzak, Z. / Krishnamurthy, R. / Eschenmoser, A. / Egli, M. History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1pwf.cif.gz | 44.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1pwf.ent.gz | 31.3 KB | Display | PDB format |
PDBx/mmJSON format | 1pwf.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/pw/1pwf ftp://data.pdbj.org/pub/pdb/validation_reports/pw/1pwf | HTTPS FTP |
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-Related structure data
Related structure data | 1dplS 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: DNA chain | Mass: 3061.004 Da / Num. of mol.: 2 / Source method: obtained synthetically / Details: chemically synthesized oligonucleotide #2: Chemical | ChemComp-SPM / | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.03 Å3/Da / Density % sol: 39.35 % | ||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6 Details: Sodium Cacodylate, Sodium Chloride, Barium Chloride, Spermine tetrahydrochloride, 2-methyl-2,4-pentanediol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K | ||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions |
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-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 5ID-B / Wavelength: 1 Å |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jul 5, 2002 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.16→30 Å / Num. obs: 18354 / % possible obs: 98.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Rmerge(I) obs: 0.062 |
Reflection shell | Resolution: 1.16→1.2 Å / Rmerge(I) obs: 0.297 / Num. unique all: 1704 / % possible all: 94.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1DPL Resolution: 1.16→20 Å / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 Stereochemistry target values: L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous Bases, J. Am. Chem. Soc. (1996) 118, 509-518; A. Gelbin et al., Geometric Parameters in Nucleic ...Stereochemistry target values: L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous Bases, J. Am. Chem. Soc. (1996) 118, 509-518; A. Gelbin et al., Geometric Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J. Am. Chem. Soc. (1996) 118, 519-529; G. Parkinson et al., New Parameters for the Refinement of Nucleic Acid-Containing Structures, Acta Cryst. (1996) D52, 57-64.
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Refinement step | Cycle: LAST / Resolution: 1.16→20 Å
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Refine LS restraints |
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