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Yorodumi- PDB-386d: THREE-DIMENSIONAL STRUCTURE AND REACTIVITY OF A PHOTOCHEMICAL CLE... -
+Open data
-Basic information
Entry | Database: PDB / ID: 386d | |||||||||||||||||||||
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Title | THREE-DIMENSIONAL STRUCTURE AND REACTIVITY OF A PHOTOCHEMICAL CLEAVAGE AGENT BOUND TO DNA | |||||||||||||||||||||
Components | DNA (5'-D(*Keywords | DNA / RIGHT HANDED DNA / DOUBLE HELIX / COMPLEXED WITH DRUG | Function / homology | N,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINONESULFONAMIDE / DNA | Function and homology information Method | X-RAY DIFFRACTION / Resolution: 1.8 Å | Authors | Gasper, S.M. / Armitage, B. / Shui, X. / Hu, G.G. / Yu, C. / Schuster, G. / Williams, L.D. | Citation | Journal: J.Am.Chem.Soc. / Year: 1998 | Title: Three-Dimensional Structure and Reactivity of a Photochemical Cleavage Agent Bound to DNA Authors: Gasper, S.M. / Armitage, B. / Shui, X. / Hu, G.G. / Yu, C. / Schuster, G. / Williams, L.D. History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 386d.cif.gz | 13.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb386d.ent.gz | 7.6 KB | Display | PDB format |
PDBx/mmJSON format | 386d.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 386d_validation.pdf.gz | 642.5 KB | Display | wwPDB validaton report |
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Full document | 386d_full_validation.pdf.gz | 642.6 KB | Display | |
Data in XML | 386d_validation.xml.gz | 3 KB | Display | |
Data in CIF | 386d_validation.cif.gz | 3.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/86/386d ftp://data.pdbj.org/pub/pdb/validation_reports/86/386d | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-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: DNA chain | Mass: 1809.217 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source |
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#2: Chemical | ChemComp-AQS / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.49 Å3/Da / Density % sol: 50.63 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Method: vapor diffusion, sitting drop / pH: 6.5 / Details: pH 6.50, VAPOR DIFFUSION, SITTING DROP | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions |
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Crystal grow | *PLUS pH: 6.5 | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 136 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 |
Detector | Type: SDMS / Detector: AREA DETECTOR |
Radiation | Monochromator: GRAPHITE / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Redundancy: 12.44 % / Rmerge(I) obs: 0.077 |
Reflection shell | Resolution: 1.8→1.88 Å / % possible all: 65.6 |
Reflection | *PLUS Highest resolution: 1.8 Å / Lowest resolution: 10 Å / Num. obs: 1972 / Num. measured all: 24530 |
-Processing
Software |
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Refinement | Resolution: 1.8→10 Å / σ(F): 5
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Refinement step | Cycle: LAST / Resolution: 1.8→10 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Version: 3.1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 1.8 Å / Lowest resolution: 10 Å / σ(F): 5 / % reflection Rfree: 10 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: x_angle_deg / Dev ideal: 3.025 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | *PLUS Highest resolution: 1.8 Å / Lowest resolution: 1.88 Å / Num. reflection obs: 145 / Rfactor obs: 0.302 |