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Yorodumi- PDB-1hqj: CRYSTAL STRUCTURE OF A DE NOVO DESIGNED TRIMERIC COILED-COIL PEPTIDE -
+Open data
-Basic information
Entry | Database: PDB / ID: 1hqj | |||||||||
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Title | CRYSTAL STRUCTURE OF A DE NOVO DESIGNED TRIMERIC COILED-COIL PEPTIDE | |||||||||
Components | ZJU-GLU-LEU-GLU-ALA-ARG-ILE-ARG-GLU-LEU-GLU-ALA-ARG-ILE-LYS-NH2 | |||||||||
Keywords | DE NOVO PROTEIN / coiled coil / de novo design / alpha-helix / trimer | |||||||||
Function / homology | LEAD (II) ION Function and homology information | |||||||||
Biological species | synthetic construct (others) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 1.2 Å | |||||||||
Authors | Burkhard, P. / Meier, M. / Lustig, A. | |||||||||
Citation | Journal: Protein Sci. / Year: 2000 Title: Design of a minimal protein oligomerization domain by a structural approach. Authors: Burkhard, P. / Meier, M. / Lustig, A. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1hqj.cif.gz | 99.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1hqj.ent.gz | 81.3 KB | Display | PDB format |
PDBx/mmJSON format | 1hqj.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1hqj_validation.pdf.gz | 443.4 KB | Display | wwPDB validaton report |
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Full document | 1hqj_full_validation.pdf.gz | 448.8 KB | Display | |
Data in XML | 1hqj_validation.xml.gz | 6.5 KB | Display | |
Data in CIF | 1hqj_validation.cif.gz | 9.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hq/1hqj ftp://data.pdbj.org/pub/pdb/validation_reports/hq/1hqj | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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Details | The peptide is a trimer at high ionic strength |
-Components
#1: Protein/peptide | Mass: 2031.294 Da / Num. of mol.: 12 / Source method: obtained synthetically / Details: Neosystem / Source: (synth.) synthetic construct (others) #2: Chemical | ChemComp-PB / #3: Chemical | ChemComp-SO4 / #4: 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: 1.74 Å3/Da / Density % sol: 29.28 % | ||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5.6 Details: Ammonium Sulfate, Sodium Acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K | ||||||||||||||||||||||||
Crystal | *PLUS Density % sol: 25 % | ||||||||||||||||||||||||
Crystal grow | *PLUS | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X11 / Wavelength: 0.951 Å |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Nov 5, 1999 / Details: WIGGLER |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.951 Å / Relative weight: 1 |
Reflection | Resolution: 1.2→30 Å / Num. all: 42926 / % possible obs: 81.2 % / Biso Wilson estimate: 12.8 Å2 / Rmerge(I) obs: 0.58 |
Reflection | *PLUS Highest resolution: 1.2 Å / Lowest resolution: 30 Å / Num. obs: 78313 / % possible obs: 81.5 % / Num. measured all: 244675 / Rmerge(I) obs: 0.629 |
-Processing
Software |
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Refinement | Resolution: 1.2→10 Å / Num. parameters: 1680 / Num. restraintsaints: 2133 / Stereochemistry target values: ENGH AND HUBER
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Refine analyze | Num. disordered residues: 1 / Occupancy sum hydrogen: 1384 / Occupancy sum non hydrogen: 1815 | ||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.2→10 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL-96 / Classification: refinement | ||||||||||||
Refinement | *PLUS Lowest resolution: 20 Å / Num. reflection all: 78313 / Rfactor obs: 0.159 / Rfactor Rfree: 0.22 | ||||||||||||
Solvent computation | *PLUS | ||||||||||||
Displacement parameters | *PLUS | ||||||||||||
Refine LS restraints | *PLUS
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