+Open data
-Basic information
Entry | Database: PDB / ID: 1a7u | ||||||
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Title | CHLOROPEROXIDASE T | ||||||
Components | CHLOROPEROXIDASE T | ||||||
Keywords | HALOPEROXIDASE / OXIDOREDUCTASE / PEROXIDASE / ALPHA/BETA HYDROLASE FOLD | ||||||
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: 1.75 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 | 1a7u.cif.gz | 123.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1a7u.ent.gz | 96.8 KB | Display | PDB format |
PDBx/mmJSON format | 1a7u.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1a7u_validation.pdf.gz | 413.6 KB | Display | wwPDB validaton report |
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Full document | 1a7u_full_validation.pdf.gz | 419.7 KB | Display | |
Data in XML | 1a7u_validation.xml.gz | 24.4 KB | Display | |
Data in CIF | 1a7u_validation.cif.gz | 36.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/a7/1a7u ftp://data.pdbj.org/pub/pdb/validation_reports/a7/1a7u | HTTPS FTP |
-Related structure data
Related structure data | 1a88C 1a8qC 1a8sC 1a8uC 1brtC 1broS 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: (0.33993, 0.72267, 0.60183), Vector: |
-Components
#1: Protein | Mass: 30249.441 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source 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: 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: 2.8 Å3/Da / Density % sol: 56.2 % | |||||||||||||||
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Crystal grow | pH: 7.8 / Details: 1.8 M AMMONIUM SULFATE PH 7.8. | |||||||||||||||
Crystal grow | *PLUS Temperature: 25 ℃ / Method: vapor diffusion, sitting drop | |||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 283 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: Nov 1, 1996 / 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→27 Å / Num. obs: 65218 / % possible obs: 95.7 % / Observed criterion σ(I): 0 / Redundancy: 3 % / Biso Wilson estimate: 15.7 Å2 / Rmerge(I) obs: 0.079 / Net I/σ(I): 15.8 |
Reflection shell | Resolution: 1.75→1.83 Å / Redundancy: 2 % / Rmerge(I) obs: 0.19 / Mean I/σ(I) obs: 7 / % possible all: 89.7 |
Reflection shell | *PLUS % possible obs: 89.7 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1BRO Resolution: 1.75→90 Å / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 16.5 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati d res low obs: 10 Å / Luzzati sigma a obs: 0.03 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.75→90 Å
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Refine LS restraints |
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