+Open data
-Basic information
Entry | Database: PDB / ID: 7fjr | ||||||
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Title | Structure of a mutant of OspA | ||||||
Components | Outer surface protein A | ||||||
Keywords | LIPOPROTEIN / Outer surface protein A / OspA / LIPID BINDING PROTEIN | ||||||
Function / homology | Outer surface lipoprotein, Borrelia / Outer surface lipoprotein domain superfamily / Borrelia lipoprotein / cell outer membrane / Prokaryotic membrane lipoprotein lipid attachment site profile. / cell surface / membrane / DI(HYDROXYETHYL)ETHER / Outer surface protein A Function and homology information | ||||||
Biological species | Borreliella burgdorferi (Lyme disease spirochete) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.6 Å | ||||||
Authors | Shiga, S. / Makabe, K. | ||||||
Funding support | 1items
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Citation | Journal: J.Mol.Biol. / Year: 2024 Title: beta-Strand-mediated Domain-swapping in the Absence of Hydrophobic Core Repacking. Authors: Kiya, M. / Shiga, S. / Ding, P. / Koide, S. / Makabe, K. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7fjr.cif.gz | 122.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7fjr.ent.gz | 79.7 KB | Display | PDB format |
PDBx/mmJSON format | 7fjr.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fj/7fjr ftp://data.pdbj.org/pub/pdb/validation_reports/fj/7fjr | HTTPS FTP |
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-Related structure data
Related structure data | 6kwjC 6kwuC 6kwvC 6ljyC 7fddC 2g8cS 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: 25609.604 Da / Num. of mol.: 1 Mutation: E37S, E45S, K46S, K48A, K60A, K64S, K83A, E104S, K107S, Deletion 117-119, insertion GG, Deletion 124-127, Deletion 130-133, insertion CTC, K239S, E240S, K254S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Borreliella burgdorferi (Lyme disease spirochete) Gene: ospA, BB_A15 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: P0CL66 | ||||
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#2: Chemical | #3: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.78 Å3/Da / Density % sol: 67.5 % |
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, hanging drop / pH: 8 Details: Protein: 16.0 mg/mL, 35% Polyethylene glycol 400, 0.1 M Tris-HCl |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: BL-5A / Wavelength: 1 Å |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: May 12, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→19.69 Å / Num. obs: 12935 / % possible obs: 100 % / Redundancy: 17.7 % / Biso Wilson estimate: 53.83 Å2 / Rmerge(I) obs: 0.053 / Net I/σ(I): 49.3 |
Reflection shell | Resolution: 2.6→2.69 Å / Rmerge(I) obs: 0.344 / Mean I/σ(I) obs: 9.2 / Num. unique obs: 1237 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2G8C Resolution: 2.6→19.69 Å / SU ML: 0.2915 / Cross valid method: FREE R-VALUE / σ(F): 1.52 / Phase error: 24.9754 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 60.91 Å2 | ||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.6→19.69 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: -46.5413778286 Å / Origin y: -16.2906310331 Å / Origin z: 36.3276017197 Å
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Refinement TLS group | Selection details: all |