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- PDB-330d: BASE-PAIRING SHIFT IN THE MAJOR GROOVE OF (CA)N TRACTS BY B-DNA C... -
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Open data
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Basic information
Entry | Database: PDB / ID: 330d | ||||||
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Title | BASE-PAIRING SHIFT IN THE MAJOR GROOVE OF (CA)N TRACTS BY B-DNA CRYSTAL STRUCTURES | ||||||
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![]() | DNA / B-DNA / DOUBLE HELIX | ||||||
Function / homology | DNA / DNA (> 10)![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Timsit, Y. / Vilbois, E. / Moras, D. | ||||||
![]() | ![]() Title: Base-pairing shift in the major groove of (CA)n tracts by B-DNA crystal structures. Authors: Timsit, Y. / Vilbois, E. / Moras, D. #1: ![]() Title: Self-fitting and Self-modifying Properties of the B-DNA Molecule Authors: Timsit, Y. / Moras, D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 22.3 KB | Display | ![]() |
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PDB format | ![]() | 14.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 323.5 KB | Display | ![]() |
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Full document | ![]() | 327.4 KB | Display | |
Data in XML | ![]() | 1.8 KB | Display | |
Data in CIF | ![]() | 2.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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: 3609.345 Da / Num. of mol.: 1 / Source method: obtained synthetically |
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#2: DNA chain | Mass: 3720.403 Da / Num. of mol.: 1 / Source method: obtained synthetically |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.68 Å3/Da / Density % sol: 54.17 % | ||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion / pH: 6 / Details: pH 6.00, VAPOR DIFFUSION, temperature 277.00K | ||||||||||||||||||||||||||||||||||||||||
Components of the solutions |
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Crystal grow | *PLUS pH: 6 | ||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 258 K |
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Diffraction source | Source: ![]() |
Detector | Type: SIEMENS / Detector: AREA DETECTOR |
Radiation | Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 2.7→30 Å / Num. obs: 1710 / % possible obs: 94 % / Observed criterion σ(I): 1 / Redundancy: 4.1 % / Rmerge(I) obs: 0.054 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: B-DNA DODECAMER Resolution: 2.7→7 Å / Data cutoff high absF: 1000 / Data cutoff low absF: 0.001 / σ(F): 2 Details: RE-REFINEMENT OF THE PUBLISHED STRUCTURE WITH NEW VERSION OF TOPOLOGY AND PARAMETERS FILES (1996), AND NEW VERSION OF X-PLOR (1997).
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Displacement parameters | Biso mean: 34 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine Biso |
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Refinement step | Cycle: LAST / Resolution: 2.7→7 Å
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Refine LS restraints |
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2.7 Å / Lowest resolution: 7 Å / σ(F): 2 / Rfactor obs: 0.17 / Rfactor Rwork: 0.17 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 34 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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