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Yorodumi- PDB-8aib: R11A variant of glutathione transferase Chi 1 from Synechocystis ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8aib | ||||||
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Title | R11A variant of glutathione transferase Chi 1 from Synechocystis sp. PCC 6803 in complex with glutathione | ||||||
Components | Glutathione S-transferase family protein | ||||||
Keywords | TRANSFERASE / Glutathione transferase / cyanobateria / chi class / glutathione | ||||||
Function / homology | GLUTATHIONE / : Function and homology information | ||||||
Biological species | Synechocystis sp. PCC 6803 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å | ||||||
Authors | Didierjean, C. | ||||||
Funding support | France, 1items
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Citation | Journal: Biomolecules / Year: 2022 Title: Biochemical and Structural Characterization of Chi-Class Glutathione Transferases: A Snapshot on the Glutathione Transferase Encoded by sll0067 Gene in the Cyanobacterium Synechocystis sp. Strain PCC 6803. Authors: Mocchetti, E. / Morette, L. / Mulliert, G. / Mathiot, S. / Guillot, B. / Dehez, F. / Chauvat, F. / Cassier-Chauvat, C. / Brochier-Armanet, C. / Didierjean, C. / Hecker, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8aib.cif.gz | 92.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8aib.ent.gz | 69.7 KB | Display | PDB format |
PDBx/mmJSON format | 8aib.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ai/8aib ftp://data.pdbj.org/pub/pdb/validation_reports/ai/8aib | HTTPS FTP |
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-Related structure data
Related structure data | 8ai8SC 8ai9C S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 21380.617 Da / Num. of mol.: 2 / Mutation: R11A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Synechocystis sp. PCC 6803 (bacteria) / Gene: KBZ93_12025 / Plasmid: pET-26b / Production host: Escherichia coli (E. coli) / References: UniProt: A0A8F1AEX2 #2: Chemical | #3: 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 grow | Temperature: 277 K / Method: microbatch Details: 16% (w/v) PEG 8000, 40 mM potassium phosphate monobasic and 20% (w/v) glycerol |
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-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM07 / Wavelength: 0.97951 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 11, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97951 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→46.1 Å / Num. obs: 39298 / % possible obs: 91.3 % / Redundancy: 12.8 % / Biso Wilson estimate: 41.5 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.1 / Net I/σ(I): 18.4 |
Reflection shell | Resolution: 2.2→2.27 Å / Rmerge(I) obs: 1.086 / Mean I/σ(I) obs: 2.4 / Num. unique obs: 2006 / CC1/2: 0.851 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 8AI8 Resolution: 2.2→31.35 Å / Cor.coef. Fo:Fc: 0.907 / Cor.coef. Fo:Fc free: 0.888 / SU R Cruickshank DPI: 0.172 / Cross valid method: THROUGHOUT / SU R Blow DPI: 0.181 / SU Rfree Blow DPI: 0.163 / SU Rfree Cruickshank DPI: 0.158
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Displacement parameters | Biso mean: 44.93 Å2
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Refine analyze | Luzzati coordinate error obs: 0.29 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.2→31.35 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.2→2.23 Å
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