+Open data
-Basic information
Entry | Database: PDB / ID: 7eoa | ||||||
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Title | HR-PETase from Bacterium HR29 | ||||||
Components | Poly(Ethylene terephthalate) hydrolase | ||||||
Keywords | HYDROLASE / PETase | ||||||
Function / homology | Alpha/beta hydrolase fold-5 / Alpha/beta hydrolase family / poly(ethylene terephthalate) hydrolase / Alpha/Beta hydrolase fold / hydrolase activity / ETHANOL / Poly(Ethylene terephthalate) hydrolase Function and homology information | ||||||
Biological species | bacterium HR29 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.24 Å | ||||||
Authors | Wang, J. / Wang, Y.H. | ||||||
Funding support | China, 1items
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Citation | Journal: To Be Published Title: Crystal structure of Bomgl, a monoacylglycerol lipase from marine Bacillus Authors: Wang, Y.H. / Wang, J. / Lan, D.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7eoa.cif.gz | 87 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7eoa.ent.gz | 52.5 KB | Display | PDB format |
PDBx/mmJSON format | 7eoa.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7eoa_validation.pdf.gz | 428.4 KB | Display | wwPDB validaton report |
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Full document | 7eoa_full_validation.pdf.gz | 429.5 KB | Display | |
Data in XML | 7eoa_validation.xml.gz | 15.3 KB | Display | |
Data in CIF | 7eoa_validation.cif.gz | 23.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/eo/7eoa ftp://data.pdbj.org/pub/pdb/validation_reports/eo/7eoa | HTTPS FTP |
-Related structure data
Related structure data | 7e04C 7e0vC 4eb0S S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 27944.291 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) bacterium HR29 (bacteria) / Gene: HRbin29_00073 / Production host: Escherichia coli (E. coli) References: UniProt: A0A2H5Z9R5, poly(ethylene terephthalate) hydrolase | ||||||
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#2: Chemical | #3: Water | ChemComp-HOH / | Has ligand of interest | N | Has protein modification | Y | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.43 Å3/Da / Density % sol: 49.35 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / Details: 0.1M Tris-HCl pH 8.4, ethanol 19.5% (v/v) |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.9791 Å |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Nov 4, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9791 Å / Relative weight: 1 |
Reflection | Resolution: 1.24→27.84 Å / Num. obs: 78799 / % possible obs: 99.29 % / Redundancy: 19.3 % / Biso Wilson estimate: 15.23 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.047 / Rpim(I) all: 0.01 / Rrim(I) all: 0.048 / Net I/σ(I): 30.8 |
Reflection shell | Resolution: 1.24→1.27 Å / Rmerge(I) obs: 0.428 / Num. unique obs: 5427 / CC1/2: 0.908 / Rpim(I) all: 0.223 / Rrim(I) all: 0.428 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4EB0 Resolution: 1.24→20.52 Å / SU ML: 0.0982 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 18.6031 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: 19.53 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.24→20.52 Å
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Refine LS restraints |
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LS refinement shell |
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