+Open data
-Basic information
Entry | Database: PDB / ID: 1xou | ||||||
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Title | Crystal structure of the CesA-EspA complex | ||||||
Components |
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Keywords | Structural protein/chaperone / coiled coil / helix bundle / heterodimer / Structural protein-chaperone COMPLEX | ||||||
Function / homology | Function and homology information EspA/CesA-like / Single alpha-helices involved in coiled-coils or other helix-helix interfaces - #190 / Type III secretion system filament chaperone CesA / Type III secretion system filament chaperone CesA / EspA-like secreted protein / EspA-like secreted protein / EspA/CesA-like / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / Helix non-globular / Special ...EspA/CesA-like / Single alpha-helices involved in coiled-coils or other helix-helix interfaces - #190 / Type III secretion system filament chaperone CesA / Type III secretion system filament chaperone CesA / EspA-like secreted protein / EspA-like secreted protein / EspA/CesA-like / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / Helix non-globular / Special / Helix Hairpins / Orthogonal Bundle / Mainly Alpha Similarity search - Domain/homology | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.8 Å | ||||||
Authors | Yip, C.K. / Finlay, B.B. / Strynadka, N.C.J. | ||||||
Citation | Journal: Nat.Struct.Mol.Biol. / Year: 2005 Title: Structural characterization of a type III secretion system filament protein in complex with its chaperone. Authors: Yip, C.K. / Finlay, B.B. / Strynadka, N.C.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1xou.cif.gz | 41.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1xou.ent.gz | 31.1 KB | Display | PDB format |
PDBx/mmJSON format | 1xou.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xo/1xou ftp://data.pdbj.org/pub/pdb/validation_reports/xo/1xou | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 20904.867 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Gene: espA / Plasmid: pET28a / Species (production host): Escherichia coli / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: Q47184 |
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#2: Protein | Mass: 10808.205 Da / Num. of mol.: 1 / Mutation: S2G Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Gene: orf3 / Plasmid: pET28a / Species (production host): Escherichia coli / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: O52124 |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.89 Å3/Da / Density % sol: 34.8 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion / pH: 8.5 Details: PEG 1500, Tris, pH 8.5, VAPOR DIFFUSION, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 0.9795 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Jan 31, 2004 |
Radiation | Monochromator: Double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→57.73 Å / Num. all: 6480 / Num. obs: 6480 / % possible obs: 100 % / Observed criterion σ(F): 2.8 / Observed criterion σ(I): 2.8 / Redundancy: 13.1 % / Biso Wilson estimate: 73.4 Å2 / Rmerge(I) obs: 0.123 / Rsym value: 0.123 / Net I/σ(I): 21.5 |
Reflection shell | Resolution: 2.8→2.94 Å / Redundancy: 13.8 % / Rmerge(I) obs: 0.507 / Mean I/σ(I) obs: 4.1 / Num. unique all: 930 / Rsym value: 0.507 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 2.8→57.73 Å / Rfactor Rfree error: 0.014 / Data cutoff high absF: 1147616.94 / Data cutoff high rms absF: 1147616.94 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 52.1325 Å2 / ksol: 0.381881 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 70.2 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.8→57.73 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.8→2.98 Å / Rfactor Rfree error: 0.038 / Total num. of bins used: 6
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Xplor file |
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