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Open data
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Basic information
Entry | Database: PDB / ID: 1ick | ||||||||||||||||||
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Title | LEFT-HANDED Z-DNA HEXAMER DUPLEX D(CGCGCG)2 | ||||||||||||||||||
![]() | 5'-D(*![]() DNA / left-handed Z-DNA oligomer | Function / homology | SPERMINE / DNA | ![]() Method | ![]() ![]() ![]() Dauter, Z. / Adamiak, D.A. | ![]() ![]() Title: Anomalous signal of phosphorus used for phasing DNA oligomer: importance of data redundancy. Authors: Dauter, Z. / Adamiak, D.A. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 26.1 KB | Display | ![]() |
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PDB format | ![]() | 17.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 381.6 KB | Display | ![]() |
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Full document | ![]() | 381.4 KB | Display | |
Data in XML | ![]() | 4.4 KB | Display | |
Data in CIF | ![]() | 5.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2dcgS 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: 1810.205 Da / Num. of mol.: 2 / Source method: obtained synthetically #2: Chemical | ChemComp-SPM / | #3: Chemical | ChemComp-MG / | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.74 Å3/Da / Density % sol: 29.13 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 30 mM cacodylate buffer, 15 mM MgCl2, 10 mM spermine, 5% MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions |
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Crystal grow | *PLUS | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction source | Source: ![]() ![]() ![]() |
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Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Aug 15, 2000 / Details: mirrors |
Radiation | Monochromator: Si 111 CHANNEL CUT DOUBLE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 0.95→20 Å / Num. all: 16121 / Num. obs: 16121 / % possible obs: 99.8 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 12 % / Biso Wilson estimate: 4.2 Å2 / Rmerge(I) obs: 0.038 / Rsym value: 0.038 / Net I/σ(I): 58.7 |
Reflection shell | Resolution: 0.95→0.98 Å / Redundancy: 12 % / Rmerge(I) obs: 0.129 / Mean I/σ(I) obs: 9.7 / Num. unique all: 1550 / Rsym value: 0.129 / % possible all: 98.8 |
Reflection | *PLUS Num. measured all: 193475 |
Reflection shell | *PLUS % possible obs: 98.8 % |
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Processing
Software |
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Refinement | Method to determine structure: 2DCG model from PDB Starting model: 2DCG from PDB Resolution: 0.95→10 Å / Cross valid method: electron density maps / σ(F): -99 / σ(I): -99 / Stereochemistry target values: Parkinson et al. Details: Anisotropic model for all atoms. The average rms error from the inversion of the lsq matrix is 0.01 Angstrom.
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Refinement step | Cycle: LAST / Resolution: 0.95→10 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 0.95→10 Å / Rfactor Rfree error: 0
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | ||||||||||||||||||
Refinement | *PLUS Num. reflection all: 15782 / Num. reflection obs: 16102 / Rfactor all: 0.0871 | ||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||
Refine LS restraints | *PLUS
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