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- PDB-2owt: Crystal structure of Bordetella pertussis holo ferric binding pro... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2owt | ||||||
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Title | Crystal structure of Bordetella pertussis holo ferric binding protein with bound synergistic carbonate anion | ||||||
![]() | Putative iron binding protein | ||||||
![]() | METAL BINDING PROTEIN / alpha-beta-alpha units / anti-parallel beta-strands hinge region | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Tom-Yew, S.A.L. / Murphy, M.E.P. | ||||||
![]() | ![]() Title: Anion-dependent hinge motion in ferric binding proteins Authors: Tom-Yew, S.A.L. / Shilton, B.H. / Bekker, E.G. / Tocheva, E.I. / Murphy, M.E.P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 70.3 KB | Display | ![]() |
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PDB format | ![]() | 55.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 433.9 KB | Display | ![]() |
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Full document | ![]() | 435.8 KB | Display | |
Data in XML | ![]() | 14 KB | Display | |
Data in CIF | ![]() | 19.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Details | The biological unit is the monomer. |
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Components
#1: Protein | Mass: 34821.574 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Species: Bordetella pertussis / Strain: Tohama I / Gene: bFbpA / Plasmid: pET28a / Species (production host): Escherichia coli / Production host: ![]() ![]() |
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#2: Chemical | ChemComp-FE / |
#3: Chemical | ChemComp-CO3 / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.98 Å3/Da / Density % sol: 37.76 % |
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Crystal grow | Temperature: 294.15 K / Method: vapor diffusion, hanging drop / pH: 9 Details: 34% PEG 1500, 0.1M Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 294.15K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Feb 7, 2006 / Details: mirrors |
Radiation | Monochromator: Double crystal, Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97944 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→50 Å / Num. all: 11344 / Num. obs: 10839 / % possible obs: 95.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 25.4 % / Rmerge(I) obs: 0.069 / Net I/σ(I): 26.9 |
Reflection shell | Resolution: 2.4→2.49 Å / Rmerge(I) obs: 0.276 / Mean I/σ(I) obs: 9.9 / % possible all: 96.7 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 10.861 Å2
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Refinement step | Cycle: LAST / Resolution: 2.4→48 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.4→2.461 Å / Total num. of bins used: 20
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