+Open data
-Basic information
Entry | Database: PDB / ID: 2oy1 | ||||||
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Title | The crystal structure of OspA mutant | ||||||
Components | Outer surface protein A | ||||||
Keywords | MEMBRANE PROTEIN / beta-sheet | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Borrelia burgdorferi (Lyme disease spirochete) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.86 Å | ||||||
Authors | Makabe, K. / Terechko, V. / Koide, S. | ||||||
Citation | Journal: J.Am.Chem.Soc. / Year: 2007 Title: beta-Strand Flipping and Slipping Triggered by Turn Replacement Reveal the Opportunistic Nature of beta-Strand Pairing Authors: Makabe, K. / Yan, S. / Tereshko, V. / Gawlak, G. / Koide, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2oy1.cif.gz | 60.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2oy1.ent.gz | 43.1 KB | Display | PDB format |
PDBx/mmJSON format | 2oy1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/oy/2oy1 ftp://data.pdbj.org/pub/pdb/validation_reports/oy/2oy1 | HTTPS FTP |
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-Related structure data
Related structure data | 2ol6C 2ol7C 2ol8C 2g8cS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 26210.352 Da / Num. of mol.: 1 / Fragment: Residues 27-273 Mutation: E37S, E45S, K46S, K48A, K60A, K64S, K83A, E104S, K107S, K117N, D118G, F125I, N126I, E127I, K128D, E120I, V131I, S132I, K238S, E239S, K253S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Borrelia burgdorferi (Lyme disease spirochete) Gene: ospA / Plasmid: pET24a / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q45040, UniProt: P0CL66*PLUS |
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#2: 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: 2.53 Å3/Da / Density % sol: 51.38 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 26% PEG3350, 0.1M Imidazole, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.0332 Å |
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Feb 16, 2007 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.0332 Å / Relative weight: 1 |
Reflection | Resolution: 1.85→50 Å / Num. obs: 22098 / % possible obs: 99.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.6 % / Rmerge(I) obs: 0.084 / Net I/σ(I): 13.9 |
Reflection shell | Resolution: 1.85→1.92 Å / Redundancy: 3.4 % / Rmerge(I) obs: 0.084 / Mean I/σ(I) obs: 3.61 / Num. unique all: 2185 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 2G8C Resolution: 1.86→20 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.938 / SU B: 6.957 / SU ML: 0.109 / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R: 0.148 / ESU R Free: 0.135 / 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: 1.2 Å / Solvent model: BABINET MODEL WITH MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 39.326 Å2
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Refinement step | Cycle: LAST / Resolution: 1.86→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.86→1.903 Å / Total num. of bins used: 20
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