+Open data
-Basic information
Entry | Database: PDB / ID: 1a8u | ||||||
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Title | CHLOROPEROXIDASE T/BENZOATE COMPLEX | ||||||
Components | CHLOROPEROXIDASE T | ||||||
Keywords | HALOPEROXIDASE / OXIDOREDUCTASE / BENZOATE COMPLEX | ||||||
Function / homology | Function and homology information chloride peroxidase activity / Oxidoreductases; Acting on a peroxide as acceptor; Peroxidases Similarity search - Function | ||||||
Biological species | Streptomyces aureofaciens (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.6 Å | ||||||
Authors | Hofmann, B. / Toelzer, S. / Pelletier, I. / Altenbuchner, J. / Van Pee, K.-H. / Hecht, H.-J. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 1998 Title: Structural investigation of the cofactor-free chloroperoxidases. Authors: Hofmann, B. / Tolzer, S. / Pelletier, I. / Altenbuchner, J. / van Pee, K.H. / Hecht, H.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1a8u.cif.gz | 127.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1a8u.ent.gz | 102.8 KB | Display | PDB format |
PDBx/mmJSON format | 1a8u.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/a8/1a8u ftp://data.pdbj.org/pub/pdb/validation_reports/a8/1a8u | HTTPS FTP |
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-Related structure data
Related structure data | 1a7uSC 1a88C 1a8qC 1a8sC 1brtC S: Starting model for refinement C: citing same article (ref.) |
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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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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.337597, -0.723701, -0.601901), Vector: |
-Components
#1: Protein | Mass: 30249.441 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: COMPLEX WITH BENZOIC ACID / Source: (gene. exp.) Streptomyces aureofaciens (bacteria) / Strain: TUE24 / Gene: CPOT / Plasmid: PIJ486 / Gene (production host): CPOT / Production host: Streptomyces lividans (bacteria) / Strain (production host): TK64 / References: UniProt: O31168, chloride peroxidase #2: Chemical | ChemComp-SO4 / #3: Chemical | #4: Water | ChemComp-HOH / | |
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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: 2.65 Å3/Da / Density % sol: 56.2 % | |||||||||||||||||||||||||
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Crystal grow | pH: 7.8 Details: 1.8 M AMMONIUM SULFATE PH 7.8., SMALL AMOUNTS OF SOLID SODIUM BENZOATE | |||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 25 ℃ / Method: vapor diffusion, sitting drop | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 90 K |
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Diffraction source | Source: SYNCHROTRON / Site: MPG/DESY, HAMBURG / Beamline: BW6 / Wavelength: 1.1 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jan 1, 1997 / Details: MIRROR |
Radiation | Monochromator: SI(111) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.1 Å / Relative weight: 1 |
Reflection | Resolution: 1.75→28 Å / Num. obs: 84499 / % possible obs: 98.9 % / Observed criterion σ(I): 0 / Redundancy: 4.7 % / Biso Wilson estimate: 13.49 Å2 / Rmerge(I) obs: 0.076 / Net I/σ(I): 20 |
Reflection shell | Resolution: 1.6→1.67 Å / Redundancy: 4 % / Rmerge(I) obs: 0.18 / Mean I/σ(I) obs: 9 / % possible all: 97.9 |
Reflection shell | *PLUS % possible obs: 97.9 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1A7U Resolution: 1.6→90 Å / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 13.25 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati d res low obs: 10 Å / Luzzati sigma a obs: 0.02 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.6→90 Å
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Refine LS restraints |
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