+Open data
-Basic information
Entry | Database: PDB / ID: 9ixn | ||||||
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Title | Crystal structure of OXA-10 | ||||||
Components | Beta-lactamase OXA-10 | ||||||
Keywords | HYDROLASE / Class D Beta-lactamase / OXA-10 | ||||||
Function / homology | Function and homology information penicillin binding / antibiotic catabolic process / cell wall organization / beta-lactamase activity / beta-lactamase / response to antibiotic Similarity search - Function | ||||||
Biological species | Pseudomonas aeruginosa (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.92 Å | ||||||
Authors | Lee, C.E. / Park, Y.S. / Park, H.J. / Kang, L.W. | ||||||
Funding support | Korea, Republic Of, 1items
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Citation | Journal: Emerg Microbes Infect / Year: 2024 Title: Structural insights into alterations in the substrate spectrum of serine-beta-lactamase OXA-10 from Pseudomonas aeruginosa by single amino acid substitutions. Authors: Lee, C.E. / Park, Y. / Park, H. / Kwak, K. / Lee, H. / Yun, J. / Lee, D. / Lee, J.H. / Lee, S.H. / Kang, L.W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 9ixn.cif.gz | 120.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb9ixn.ent.gz | 91.4 KB | Display | PDB format |
PDBx/mmJSON format | 9ixn.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 9ixn_validation.pdf.gz | 443.3 KB | Display | wwPDB validaton report |
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Full document | 9ixn_full_validation.pdf.gz | 449 KB | Display | |
Data in XML | 9ixn_validation.xml.gz | 27.5 KB | Display | |
Data in CIF | 9ixn_validation.cif.gz | 37.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ix/9ixn ftp://data.pdbj.org/pub/pdb/validation_reports/ix/9ixn | HTTPS FTP |
-Related structure data
Related structure data | 9ixoC 9ixpC 9ixqC 9ixrC 1fofS 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: 27836.637 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Gene: bla, oxa10, pse2 / Plasmid: pET-29b / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: P14489, beta-lactamase #2: Water | ChemComp-HOH / | Has ligand of interest | Y | Has protein modification | Y | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.89 Å3/Da / Density % sol: 57.5 % |
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Crystal grow | Temperature: 288 K / Method: vapor diffusion, hanging drop Details: 20% PEG 3350, 0.2 M Sodium formate, 0.1 M Tris-HCl pH 7.0 |
-Data collection
Diffraction | Mean temperature: 100 K / Ambient temp details: Steady flow of liquid nitrogen / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: PAL/PLS / Beamline: 5C (4A) / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Oct 20, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.92→28.24 Å / Num. obs: 50131 / % possible obs: 99.85 % / Redundancy: 13.4 % / CC1/2: 0.999 / CC star: 1 / Rmerge(I) obs: 0.125 / Rpim(I) all: 0.035 / Rrim(I) all: 0.13 / Net I/σ(I): 16.16 |
Reflection shell | Resolution: 1.92→1.989 Å / Num. unique obs: 4894 / Rpim(I) all: 0.386 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1FOF Resolution: 1.92→28.24 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.946 / SU B: 3.282 / SU ML: 0.093 / Cross valid method: THROUGHOUT / ESU R: 0.133 / ESU R Free: 0.125 / 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: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 31.101 Å2
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Refinement step | Cycle: 1 / Resolution: 1.92→28.24 Å
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Refine LS restraints |
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