+Open data
-Basic information
Entry | Database: PDB / ID: 8sm6 | ||||||
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Title | Aerobic, Diiron(III)-metalated SfbO | ||||||
Components | Amidohydrolase family protein | ||||||
Keywords | OXIDOREDUCTASE / monooxygenase / amidohydrolase / non-heme iron | ||||||
Function / homology | 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase / Amidohydrolase / carboxy-lyase activity / Amidohydrolase-related / Metal-dependent hydrolase / hydrolase activity / : / Amidohydrolase family protein Function and homology information | ||||||
Biological species | Litorilinea aerophila (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.39 Å | ||||||
Authors | Liu, C. / Powell, M.M. / Rittle, J. | ||||||
Funding support | 1items
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Citation | Journal: J.Am.Chem.Soc. / Year: 2024 Title: Bioinformatic Discovery of a Cambialistic Monooxygenase. Authors: Liu, C. / Powell, M.M. / Rao, G. / Britt, R.D. / Rittle, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8sm6.cif.gz | 598 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8sm6.ent.gz | 456.7 KB | Display | PDB format |
PDBx/mmJSON format | 8sm6.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/sm/8sm6 ftp://data.pdbj.org/pub/pdb/validation_reports/sm/8sm6 | HTTPS FTP |
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-Related structure data
Related structure data | 8sm7C 8sm8C 8sm9C 8smaC 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: 42498.055 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Litorilinea aerophila (bacteria) / Gene: FKZ61_10105 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A540VG95 #2: Chemical | ChemComp-SO4 / #3: Chemical | ChemComp-FE / #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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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: 2.37 Å3/Da / Density % sol: 48.15 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 6 Details: 4 mg/mL protein concentration, 21% PEG 5000 MME, 0.1 M MES pH 6.0, 0.2 M Ammonium sulfate, and 10% v/v glycerol |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 5.0.1 / Wavelength: 0.987 Å |
Detector | Type: DECTRIS PILATUS3 2M / Detector: PIXEL / Date: Dec 11, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.987 Å / Relative weight: 1 |
Reflection | Resolution: 1.39→48.32 Å / Num. obs: 306646 / % possible obs: 99.39 % / Redundancy: 12.3 % / Biso Wilson estimate: 16.13 Å2 / CC1/2: 0.999 / CC star: 1 / Net I/σ(I): 18.43 |
Reflection shell | Resolution: 1.39→1.44 Å / Redundancy: 7 % / Num. unique obs: 201888 / CC1/2: 0.517 / CC star: 0.826 / % possible all: 94.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.39→48.32 Å / SU ML: 0.1289 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 16.5208 / Stereochemistry target values: GeoStd + Monomer Library
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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: 23.11 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.39→48.32 Å
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Refine LS restraints |
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LS refinement shell |
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