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Yorodumi- PDB-7btj: Crystal structure of Pennisetum glaucum monodehydroascorbate redu... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7btj | |||||||||
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Title | Crystal structure of Pennisetum glaucum monodehydroascorbate reductase in complex with FADH2 | |||||||||
Components | Pennisetum glaucum monodehydroascorbate reductase | |||||||||
Keywords | OXIDOREDUCTASE / Nucleotide Binding Oxidoreductase Activity Monodehydroascorbate Reductase (nadh) Activity Flavin Adenine Dinucleotide Binding | |||||||||
Function / homology | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE / NICOTINAMIDE-ADENINE-DINUCLEOTIDE Function and homology information | |||||||||
Biological species | Cenchrus americanus (bulrush millet) | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.373 Å | |||||||||
Authors | Sonkar, K.S. / Achary, M.M. / Reddy, M.K. / Arulandu, A. | |||||||||
Funding support | India, 1items
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Citation | Journal: To Be Published Title: Crystal structure of Pennisetum glaucum monodehydroascorbate reductase Authors: Sonkar, K.S. / Arulandu, A. / Achary, M.M. / Reddy, M.K. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7btj.cif.gz | 347.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7btj.ent.gz | 279.4 KB | Display | PDB format |
PDBx/mmJSON format | 7btj.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7btj_validation.pdf.gz | 2.4 MB | Display | wwPDB validaton report |
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Full document | 7btj_full_validation.pdf.gz | 2.4 MB | Display | |
Data in XML | 7btj_validation.xml.gz | 63.8 KB | Display | |
Data in CIF | 7btj_validation.cif.gz | 89.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bt/7btj ftp://data.pdbj.org/pub/pdb/validation_reports/bt/7btj | HTTPS FTP |
-Related structure data
Related structure data | 7buzC 5jciS 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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2 |
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3 |
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4 |
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Unit cell |
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-Components
#1: Protein | Mass: 46843.133 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Cenchrus americanus (bulrush millet) / Gene: MDHAR / Plasmid: pETM30 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: monodehydroascorbate reductase (NADH) #2: Chemical | ChemComp-NAD / #3: Chemical | ChemComp-FDA / #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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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: 2.19 Å3/Da / Density % sol: 45 % |
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Crystal grow | Temperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.2 M Sodium acetate trihydrate 0.1 M Sodium cacodylate trihydrate pH 6.5 30% w/v Polyethylene glycol 8,000 PH range: 6.4 - 6.8 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 / Wavelength: 1.5418 Å |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Jan 18, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.37→61.45 Å / Num. obs: 64802 / % possible obs: 96.6 % / Redundancy: 4.9 % / CC1/2: 0.997 / Net I/σ(I): 2.21 |
Reflection shell | Resolution: 2.373→2.413 Å / Num. unique obs: 15670 / CC1/2: 0.997 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5JCI Resolution: 2.373→61.45 Å / Cor.coef. Fo:Fc: 0.936 / Cor.coef. Fo:Fc free: 0.899 / SU R Cruickshank DPI: 0.532 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.488 / SU Rfree Blow DPI: 0.261 / SU Rfree Cruickshank DPI: 0.269
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Displacement parameters | Biso max: 92.79 Å2 / Biso mean: 41.01 Å2 / Biso min: 14.42 Å2
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Refine analyze | Luzzati coordinate error obs: 0.28 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.373→61.45 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.39→2.39 Å / Rfactor Rfree error: 0
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