+Open data
-Basic information
Entry | Database: PDB / ID: 1jzw | ||||||
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Title | Arsenate Reductase + Sodium Arsenate From E. coli | ||||||
Components | ARSENATE REDUCTASE | ||||||
Keywords | OXIDOREDUCTASE / ArsC-Cys-12-thioarsenate / Reaction Product Of Arsenate Reductase With Arsenate | ||||||
Function / homology | Function and homology information arsenate reductase (glutathione/glutaredoxin) / arsenate reductase (glutaredoxin) activity / response to arsenic-containing substance Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / AB INITIO / Resolution: 1.76 Å | ||||||
Authors | Martin, P. / DeMel, S. / Shi, J. / Gladysheva, T. / Gatti, D.L. / Rosen, B.P. / Edwards, B.F. | ||||||
Citation | Journal: Structure / Year: 2001 Title: Insights into the structure, solvation, and mechanism of ArsC arsenate reductase, a novel arsenic detoxification enzyme. Authors: Martin, P. / DeMel, S. / Shi, J. / Gladysheva, T. / Gatti, D.L. / Rosen, B.P. / Edwards, B.F. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1jzw.cif.gz | 44.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1jzw.ent.gz | 34 KB | Display | PDB format |
PDBx/mmJSON format | 1jzw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jz/1jzw ftp://data.pdbj.org/pub/pdb/validation_reports/jz/1jzw | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 15843.989 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Production host: Escherichia coli (E. coli) / References: UniProt: P08692 | ||||||
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#2: Chemical | #3: Chemical | ChemComp-SO3 / | #4: Chemical | ChemComp-CS / #5: 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: 3.05 Å3/Da / Density % sol: 69.16 % | ||||||||||||||||||||||||||||
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Crystal grow | Temperature: 278 K / Method: vapor diffusion, hanging drop / pH: 4.8 Details: 50% saturated Cesium Sulfate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 278K | ||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 5 ℃ | ||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 93 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Sep 7, 2000 / Details: Osmic Mirrors |
Radiation | Monochromator: Osmic Mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.75→20 Å / Num. all: 26828 / Num. obs: 22762 / % possible obs: 84.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 31.74 % / Biso Wilson estimate: 20.094 Å2 / Rmerge(I) obs: 0.1067 / Rsym value: 0.1067 / Net I/σ(I): 21.232 |
Reflection shell | Resolution: 1.75→1.81 Å / Redundancy: 8.02 % / Rmerge(I) obs: 0.3302 / Mean I/σ(I) obs: 8.51 / Num. unique all: 4354 / Rsym value: 0.3302 / % possible all: 40 |
Reflection | *PLUS Num. measured all: 722598 |
-Processing
Software |
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Refinement | Method to determine structure: AB INITIO / Resolution: 1.76→20 Å / Num. parameters: 5596 / Num. restraintsaints: 4714 / Isotropic thermal model: Isotropic / Cross valid method: FREE R / σ(F): 0 / σ(I): -3 / Stereochemistry target values: ENGH & HUBER
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Displacement parameters | Biso mean: 24 Å2 | |||||||||||||||||||||||||||||||||
Refine analyze | Luzzati coordinate error obs: 0.015 Å / Num. disordered residues: 8 / Occupancy sum hydrogen: 0 / Occupancy sum non hydrogen: 1330.07 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.76→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.75→1.88 Å /
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS σ(F): 0 / Rfactor obs: 0.163 / Rfactor Rfree: 0.192 | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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