+Open data
-Basic information
Entry | Database: PDB / ID: 1a88 | ||||||
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Title | CHLOROPEROXIDASE L | ||||||
Components | CHLOROPEROXIDASE L | ||||||
Keywords | HALOPEROXIDASE / OXIDOREDUCTASE | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Streptomyces lividans (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 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 | 1a88.cif.gz | 170.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1a88.ent.gz | 140 KB | Display | PDB format |
PDBx/mmJSON format | 1a88.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/a8/1a88 ftp://data.pdbj.org/pub/pdb/validation_reports/a8/1a88 | HTTPS FTP |
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-Related structure data
Related structure data | 1a7uC 1a8qSC 1a8sC 1a8uC 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:
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-Components
#1: Protein | Mass: 29816.207 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces lividans (bacteria) / Strain: TK64 / Gene: CPO-L / Plasmid: PRB882 / Gene (production host): CPO-L / Production host: Streptomyces aureofaciens (bacteria) / Strain (production host): TUE24-88 / References: UniProt: P49323, 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: 2.79 Å3/Da / Density % sol: 55.3 % | |||||||||||||||
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Crystal grow | pH: 8.2 / Details: 2.0 M AMMONIUM SULFATE 100MM TRIS/HCL PH 8.2 | |||||||||||||||
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: Mar 1, 1995 / 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: 1.9→44.2 Å / Num. obs: 65934 / % possible obs: 84.7 % / Observed criterion σ(I): 0 / Redundancy: 2 % / Biso Wilson estimate: 16.2 Å2 / Rmerge(I) obs: 0.078 / Net I/σ(I): 13.4 |
Reflection shell | Resolution: 1.9→1.99 Å / Redundancy: 1.5 % / Rmerge(I) obs: 0.205 / Mean I/σ(I) obs: 5.2 / % possible all: 74.4 |
Reflection | *PLUS Lowest resolution: 130 Å |
Reflection shell | *PLUS % possible obs: 74.4 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1A8Q Resolution: 1.9→130 Å / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 22.4 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.9→130 Å
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Refine LS restraints |
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Software | *PLUS Name: REFMAC / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS % reflection Rfree: 5 % / Rfactor obs: 0.16 / Rfactor Rwork: 0.16 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |