+Open data
-Basic information
Entry | Database: PDB / ID: 8wkh | ||||||
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Title | Crystal structure of group 13 allergen from Blomia tropicalis | ||||||
Components | Fatty acid-binding protein | ||||||
Keywords | ALLERGEN / BETA BARREL / HELIX | ||||||
Function / homology | DI(HYDROXYETHYL)ETHER Function and homology information | ||||||
Biological species | Blomia tropicalis (arthropod) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Zhu, K.L. / Gong, Y. / Cui, Y.B. | ||||||
Funding support | 1items
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Citation | Journal: Int.J.Biol.Macromol. / Year: 2023 Title: Immunobiological properties and structure analysis of group 13 allergen from Blomia tropicalis and its IgE-mediated cross-reactivity. Authors: Zhou, Y. / Zhu, K. / Li, Q. / Zhou, D. / Ren, Y. / Liao, Y. / Cao, P. / Gong, Y. / Cui, Y. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8wkh.cif.gz | 76.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8wkh.ent.gz | 53.2 KB | Display | PDB format |
PDBx/mmJSON format | 8wkh.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wk/8wkh ftp://data.pdbj.org/pub/pdb/validation_reports/wk/8wkh | HTTPS FTP |
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-Related structure data
Similar structure data | Similarity search - Function & homologyF&H Search |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 14878.856 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: In the sequence, the first residue G is a expression tag. Source: (gene. exp.) Blomia tropicalis (arthropod) / Production host: Escherichia coli (E. coli) |
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#2: Chemical | ChemComp-TRS / |
#3: Chemical | ChemComp-PEG / |
#4: Water | ChemComp-HOH / |
Has ligand of interest | N |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.28 Å3/Da / Density % sol: 45.96 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.1M HEPES, pH7.5 and 25% PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.98 Å |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Aug 2, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 2→50 Å / Num. obs: 8802 / % possible obs: 96.1 % / Redundancy: 5.2 % / Biso Wilson estimate: 34.92 Å2 / CC1/2: 0.99 / Rmerge(I) obs: 0.07 / Rpim(I) all: 0.042 / Net I/σ(I): 35.9 |
Reflection shell | Resolution: 2→2.03 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.493 / Mean I/σ(I) obs: 4 / Num. unique obs: 420 / CC1/2: 0.838 / % possible all: 88.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2→30.49 Å / SU ML: 0.1559 / Cross valid method: FREE R-VALUE / σ(F): 1.38 / Phase error: 27.234 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 41.93 Å2 | ||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→30.49 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: 12.7576 Å / Origin y: 19.9387 Å / Origin z: 12.8294 Å
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