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- PDB-362d: THE STRUCTURE OF D(TGCGCA)2 AND A COMPARISON TO OTHER Z-DNA HEXAMERS -
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Open data
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Basic information
Entry | Database: PDB / ID: 362d | |||||||||||||||||||||
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Title | THE STRUCTURE OF D(TGCGCA)2 AND A COMPARISON TO OTHER Z-DNA HEXAMERS | |||||||||||||||||||||
![]() | DNA (5'-D(*![]() DNA / Z-DNA / DOUBLE HELIX | Function / homology | COBALT HEXAMMINE(III) / DNA | ![]() Method | ![]() ![]() ![]() ![]() Harper, N.A. / Brannigan, J.A. / Buck, M. / Lewis, R.J. / Moore, M.H. / Schneider, B. | ![]() ![]() Title: Structure of d(TGCGCA)2 and a comparison to other DNA hexamers. Authors: Harper, A. / Brannigan, J.A. / Buck, M. / Hewitt, L. / Lewis, R.J. / Moore, M.H. / Schneider, B. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 26.2 KB | Display | ![]() |
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PDB format | ![]() | 19.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 361.6 KB | Display | ![]() |
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Full document | ![]() | 372.6 KB | Display | |
Data in XML | ![]() | 3.6 KB | Display | |
Data in CIF | ![]() | 4.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1dcgS S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: DNA chain | Mass: 1809.218 Da / Num. of mol.: 2 / Source method: obtained synthetically #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2 Å3/Da / Density % sol: 38 % | |||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 6 / Details: pH 6.00 | |||||||||||||||||||||||||||||||||||
Crystal | *PLUS Density % sol: 38 % | |||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 291 K / pH: 6 / Method: vapor diffusion, sitting dropDetails: drops of 6 micro litter total volume obtained by combining 3 micro litter of stock solution with 3 micro litter of mother liquor | |||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Sep 1, 1995 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 |
Reflection | Resolution: 1.3→24 Å / Num. obs: 7024 / % possible obs: 99.2 % / Redundancy: 4 % / Rmerge(I) obs: 0.043 / Net I/σ(I): 20 |
Reflection shell | Resolution: 1.3→1.32 Å / Redundancy: 4 % / Rmerge(I) obs: 0.078 / Mean I/σ(I) obs: 23.6 / % possible all: 87.4 |
Reflection shell | *PLUS % possible obs: 87.4 % |
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Processing
Software |
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Refinement | Method to determine structure: ![]() Starting model: MODIFIED NDB ENTRY ZDF002 (PDB ENTRY 1DCG) Resolution: 1.3→10 Å / Num. parameters: 3018 / Num. restraintsaints: 2782 / σ(F): 0 Details: RESTRAINED ANISOTROPIC REFINEMENT OF NON-HYDROGEN ATOMS. ANISOTROPIC REFINEMENT REDUCED FREE R (NO CUTOFF) BY 1.4%.
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Solvent computation | Solvent model: MOEWS & KRETSINGER, J.MOL.BIOL.91(1973)201 | |||||||||||||||||||||||||||||||||
Refine Biso |
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Refine analyze | Num. disordered residues: 1 / Occupancy sum hydrogen: 138 / Occupancy sum non hydrogen: 332 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.3→10 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL-96 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 1.3 Å / Lowest resolution: 10 Å / σ(F): 0 / % reflection Rfree: 10 % / Rfactor obs: 0.12 | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |