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Yorodumi- PDB-1tkp: Iron-oxo clusters biomineralizing on protein surfaces. Structural... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1tkp | ||||||
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Title | Iron-oxo clusters biomineralizing on protein surfaces. Structural analysis of H.salinarum DpsA in its low and high iron states | ||||||
Components | Iron-rich dpsA-homolog protein | ||||||
Keywords | METAL BINDING PROTEIN / DpsA / ferritin / iron cluster / high iron | ||||||
Function / homology | Function and homology information Oxidoreductases; Oxidizing metal ions / ferric iron binding / intracellular iron ion homeostasis / oxidoreductase activity / cytoplasm Similarity search - Function | ||||||
Biological species | Halobacterium salinarum (Halophile) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å | ||||||
Authors | Zeth, K. / Offermann, S. / Essen, L.O. / Oesterhelt, D. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2004 Title: Iron-oxo clusters biomineralizing on protein surfaces: structural analysis of Halobacterium salinarum DpsA in its low- and high-iron states. Authors: Zeth, K. / Offermann, S. / Essen, L.O. / Oesterhelt, D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1tkp.cif.gz | 154.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1tkp.ent.gz | 121.8 KB | Display | PDB format |
PDBx/mmJSON format | 1tkp.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1tkp_validation.pdf.gz | 409.7 KB | Display | wwPDB validaton report |
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Full document | 1tkp_full_validation.pdf.gz | 436.3 KB | Display | |
Data in XML | 1tkp_validation.xml.gz | 17.9 KB | Display | |
Data in CIF | 1tkp_validation.cif.gz | 27.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/tk/1tkp ftp://data.pdbj.org/pub/pdb/validation_reports/tk/1tkp | HTTPS FTP |
-Related structure data
Related structure data | 1mojC 1tjoSC 1tk6C 1tkoC C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: ALA / Beg label comp-ID: ALA / End auth comp-ID: LEU / End label comp-ID: LEU / Refine code: 2 / Auth seq-ID: 7 - 181 / Label seq-ID: 7 - 181
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-Components
#1: Protein | Mass: 20121.846 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Halobacterium salinarum (Halophile) / Strain: TOM / References: UniProt: Q9HMP7 #2: Chemical | #3: Chemical | ChemComp-FE / #4: Chemical | #5: 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: 2.1 Å3/Da / Density % sol: 42 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: PEG400, 1 M NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 1.731 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Sep 3, 2003 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.731 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→158 Å / Num. obs: 34572 / % possible obs: 97.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 2 / Redundancy: 11 % / Biso Wilson estimate: 18.9 Å2 / Rmerge(I) obs: 0.079 / Net I/σ(I): 8.99 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 1TJO Resolution: 2.2→141.42 Å / Cor.coef. Fo:Fc: 0.948 / Cor.coef. Fo:Fc free: 0.921 / SU B: 6.653 / SU ML: 0.166 / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R: 0.291 / ESU R Free: 0.217 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 46.409 Å2
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Refinement step | Cycle: LAST / Resolution: 2.2→141.42 Å
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Refine LS restraints |
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Refine LS restraints NCS | Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION
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LS refinement shell | Resolution: 2.2→2.257 Å / Total num. of bins used: 20 /
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