+Open data
-Basic information
Entry | Database: PDB / ID: 328d | ||||||||||||||||||
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Title | STRUCTURE OF A D(CGCGAATTCGCG)2-SN7167 COMPLEX | ||||||||||||||||||
Components | DNA (5'-D(*Keywords | DNA / B-DNA / COMPLEXED WITH DRUG | Function / homology | Chem-SN7 / DNA / DNA (> 10) | Function and homology information Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.6 Å | Authors | Squire, C.J. / Clark, G.R. / Denny, W.A. | Citation | Journal: Nucleic Acids Res. / Year: 1997 Title: Minor groove binding of a bis-quaternary ammonium compound: the crystal structure of SN 7167 bound to d(CGCGAATTCGCG)2. Authors: Squire, C.J. / Clark, G.R. / Denny, W.A. #1: Journal: Biochemistry / Year: 1993 Title: Minor Groove Binding of SN6999 to an Alkylated DNA: Molecular Structure of d(CGC[e6G]AATTCGCG)-SN6999 Complex Authors: Gao, Y-G. / Siriram, M. / Denny, W.A. / Wang, A.H-J. History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 328d.cif.gz | 25.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb328d.ent.gz | 16.4 KB | Display | PDB format |
PDBx/mmJSON format | 328d.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/28/328d ftp://data.pdbj.org/pub/pdb/validation_reports/28/328d | HTTPS FTP |
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-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
#1: DNA chain | Mass: 3663.392 Da / Num. of mol.: 2 / Source method: obtained synthetically #2: Chemical | ChemComp-SN7 / | #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: 2.21 Å3/Da / Density % sol: 44.34 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Method: vapor diffusion / pH: 7 / Details: pH 7.00, VAPOR DIFFUSION | ||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 6.5 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Detector | Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE / Date: Jun 21, 1995 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Num. obs: 1955 / % possible obs: 91.4 % / Observed criterion σ(I): 0 / Redundancy: 2.5 % / Rmerge(I) obs: 0.095 |
Reflection | *PLUS Highest resolution: 2.6 Å |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: BDL020 Resolution: 2.6→8 Å / σ(F): 2
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Refine Biso |
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Refinement step | Cycle: LAST / Resolution: 2.6→8 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2.6 Å / Lowest resolution: 8 Å / σ(F): 2 / % reflection Rfree: 10 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |