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Yorodumi- PDB-4w8h: Crystal structure of the TIR domain of the Toll-related Receptor ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4w8h | ||||||
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Title | Crystal structure of the TIR domain of the Toll-related Receptor TRR-2 from the lower metazoan Hydra magnipapillata (crystal form II) | ||||||
Components |
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Keywords | SIGNALING PROTEIN / Flavodoxin-like / Toll/Interleukin receptor TIR domain | ||||||
Function / homology | Function and homology information toll-like receptor signaling pathway / transmembrane signaling receptor activity / immune response / membrane Similarity search - Function | ||||||
Biological species | Hydra vulgaris (swiftwater hydra) synthetic construct (others) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.14 Å | ||||||
Authors | Weisse, R.H.-J. / Scheidig, A.J. | ||||||
Citation | Journal: To Be Published Title: Crystal structure of the TIR domain of the Toll-related Receptor TRR-2 from the lower metazoan Hydra magnipapillata (crystal form II) Authors: Weisse, R.H.-J. / Scheidig, A.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4w8h.cif.gz | 101.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4w8h.ent.gz | 79.1 KB | Display | PDB format |
PDBx/mmJSON format | 4w8h.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4w8h_validation.pdf.gz | 416.8 KB | Display | wwPDB validaton report |
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Full document | 4w8h_full_validation.pdf.gz | 416.7 KB | Display | |
Data in XML | 4w8h_validation.xml.gz | 8.8 KB | Display | |
Data in CIF | 4w8h_validation.cif.gz | 12.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/w8/4w8h ftp://data.pdbj.org/pub/pdb/validation_reports/w8/4w8h | HTTPS FTP |
-Related structure data
Related structure data | 4w8gS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 15330.566 Da / Num. of mol.: 1 / Fragment: UNP residues 95-221 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Hydra vulgaris (swiftwater hydra) / Gene: TRR-2 / Plasmid: pET19b / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): CodonPlus RIL / References: UniProt: A6M946 |
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#2: Protein/peptide | Mass: 846.896 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Plasmid: pET19b / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): CodonPlus RIL |
#3: Chemical | ChemComp-CL / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 1.87 Å3/Da / Density % sol: 34.35 % / Description: short, needle-like appearance |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 100mM NaOAc (pH 5;8), 350mM MgCl2, 18% (w/v) PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.918069 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Apr 18, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.918069 Å / Relative weight: 1 |
Reflection | Resolution: 1.14→31.79 Å / Num. all: 42226 / Num. obs: 42226 / % possible obs: 97.5 % / Redundancy: 5.8 % / Rmerge(I) obs: 0.112 / Net I/σ(I): 9.1 |
Reflection shell | Resolution: 1.14→1.16 Å / Redundancy: 3.6 % / Rmerge(I) obs: 1.659 / Mean I/σ(I) obs: 0.7 / % possible all: 96.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4W8G Resolution: 1.14→31.785 Å / SU ML: 0.15 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 20.14 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.14→31.785 Å
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Refine LS restraints |
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LS refinement shell |
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