+Open data
-Basic information
Entry | Database: PDB / ID: 1brt | ||||||
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Title | BROMOPEROXIDASE A2 MUTANT M99T | ||||||
Components | BROMOPEROXIDASE A2 | ||||||
Keywords | HALOPEROXIDASE / OXIDOREDUCTASE / PEROXIDASE / ALPHA/BETA HYDROLASE FOLD / MUTANT M99T | ||||||
Function / homology | Function and homology information antibiotic biosynthetic process / Oxidoreductases; Acting on a peroxide as acceptor; Peroxidases / peroxidase activity Similarity search - Function | ||||||
Biological species | Streptomyces aureofaciens (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.5 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 | 1brt.cif.gz | 71.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1brt.ent.gz | 52.9 KB | Display | PDB format |
PDBx/mmJSON format | 1brt.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1brt_validation.pdf.gz | 403.2 KB | Display | wwPDB validaton report |
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Full document | 1brt_full_validation.pdf.gz | 410.5 KB | Display | |
Data in XML | 1brt_validation.xml.gz | 14.7 KB | Display | |
Data in CIF | 1brt_validation.cif.gz | 21.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/br/1brt ftp://data.pdbj.org/pub/pdb/validation_reports/br/1brt | HTTPS FTP |
-Related structure data
Related structure data | 1a7uC 1a88C 1a8qC 1a8sC 1a8uC 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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-Components
#1: Protein | Mass: 30248.328 Da / Num. of mol.: 1 / Mutation: M99T Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces aureofaciens (bacteria) / Gene: BPOA2 / Plasmid: PIJ486 / Gene (production host): BPOA2 / Production host: Streptomyces lividans (bacteria) / Strain (production host): TK64 / References: UniProt: P29715, chloride peroxidase |
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#2: Chemical | ChemComp-CL / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.49 Å3/Da / Density % sol: 50.5 % | |||||||||||||||
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Crystal grow | pH: 8.5 / Details: 1.8 M AMMONIUM SULFATE 0.1 M TRIS/HCL, PH 8.5. | |||||||||||||||
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: 1.5→27.2 Å / Num. obs: 45113 / % possible obs: 94.1 % / Observed criterion σ(I): 0 / Redundancy: 6 % / Biso Wilson estimate: 12.4 Å2 / Rmerge(I) obs: 0.04 / Net I/σ(I): 22.5 |
Reflection shell | Resolution: 1.5→1.57 Å / Redundancy: 4.5 % / Rmerge(I) obs: 0.133 / Mean I/σ(I) obs: 12 / % possible all: 84.7 |
Reflection shell | *PLUS % possible obs: 84.7 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1BRO Resolution: 1.5→90 Å / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 15.22 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati d res low obs: 8.8 Å / Luzzati sigma a obs: 0.02 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.5→90 Å
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Refine LS restraints |
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