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Open data
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Basic information
Entry | Database: PDB / ID: 2h1b | ||||||
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Title | ResA E80Q | ||||||
![]() | Thiol-disulfide oxidoreductase resA | ||||||
![]() | OXIDOREDUCTASE / ResA / ResA E80Q / E80Q / Thioredoxin | ||||||
Function / homology | ![]() cytochrome complex assembly / disulfide oxidoreductase activity / antioxidant activity / plasma membrane Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Lewin, A. / Crow, A. / Oubrie, A. / Le Brun, N.E. | ||||||
![]() | ![]() Title: Molecular Basis for Specificity of the Extracytoplasmic Thioredoxin ResA. Authors: Lewin, A. / Crow, A. / Oubrie, A. / Le Brun, N.E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 135 KB | Display | ![]() |
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PDB format | ![]() | 104.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 474.4 KB | Display | ![]() |
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Full document | ![]() | 479.3 KB | Display | |
Data in XML | ![]() | 28.7 KB | Display | |
Data in CIF | ![]() | 42.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2h19C ![]() 2h1aC ![]() 2h1dC ![]() 2h1gC ![]() 1su9S S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 15941.146 Da / Num. of mol.: 4 / Mutation: E80Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-ACT / | #3: Chemical | ChemComp-EDO / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.14 Å3/Da / Density % sol: 42.44 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 5.6 Details: 27 - 30 % PEG 4,000, 0.1 M Sodium Citrate pH 5 - 5.8, 0.2 M Ammonium Acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: May 7, 2006 |
Radiation | Monochromator: Si / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.934 Å / Relative weight: 1 |
Reflection | Resolution: 1.95→91.67 Å / Num. all: 39655 / Num. obs: 39655 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.1 % / Rmerge(I) obs: 0.063 / Rsym value: 0.063 / Net I/σ(I): 9.3 |
Reflection shell | Resolution: 1.95→2.06 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.148 / Mean I/σ(I) obs: 4.5 / Num. measured all: 21977 / Num. unique all: 5730 / Rsym value: 0.148 / % possible all: 100 |
-Phasing
Phasing MR |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1SU9 Resolution: 1.95→40 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.915 / SU B: 3.056 / SU ML: 0.09 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.162 / ESU R Free: 0.15 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 12.041 Å2
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Refinement step | Cycle: LAST / Resolution: 1.95→40 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.95→2.001 Å / Total num. of bins used: 20
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