+Open data
-Basic information
Entry | Database: PDB / ID: 7c4k | |||||||||
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Title | Ancestral L-amino acid oxidase (AncLAAO-N5) ligand free form | |||||||||
Components | Ancestral L-amino acid oxidase | |||||||||
Keywords | OXIDOREDUCTASE / L-amino acid oxidase | |||||||||
Function / homology | FLAVIN-ADENINE DINUCLEOTIDE Function and homology information | |||||||||
Biological species | synthetic construct (others) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.4 Å | |||||||||
Authors | Nakano, S. / Minamino, Y. / Karasuda, H. / Ito, S. | |||||||||
Funding support | Japan, 2items
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Citation | Journal: Commun Chem / Year: 2020 Title: Ancestral L-amino acid oxidases for deracemization and stereoinversion of amino acids Authors: Nakano, S. / Kozuka, K. / Minamino, Y. / Karasuda, H. / Hasebe, F. / Ito, S. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7c4k.cif.gz | 174.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7c4k.ent.gz | 110.6 KB | Display | PDB format |
PDBx/mmJSON format | 7c4k.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/c4/7c4k ftp://data.pdbj.org/pub/pdb/validation_reports/c4/7c4k | HTTPS FTP |
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-Related 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: 74963.977 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
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#2: Chemical | ChemComp-FAD / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.77 Å3/Da / Density % sol: 55.65 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 3.5 / Details: 1.0M NaCl, 0.1M citric acid pH 3.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: BL-5A / Wavelength: 1 Å |
Detector | Type: DECTRIS PILATUS3 2M / Detector: PIXEL / Date: Mar 10, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→47.81 Å / Num. obs: 33315 / % possible obs: 100 % / Redundancy: 26.4 % / Biso Wilson estimate: 34.07 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.125 / Net I/σ(I): 25.9 |
Reflection shell | Resolution: 2.4→2.53 Å / Rmerge(I) obs: 0.674 / Num. unique obs: 4796 / CC1/2: 0.967 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 2.4→47.8 Å / SU ML: 0.2586 / Cross valid method: FREE R-VALUE / σ(F): 1.37 / Phase error: 21.4428 / Stereochemistry target values: 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: 37.66 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.4→47.8 Å
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Refine LS restraints |
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LS refinement shell |
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