+Open data
-Basic information
Entry | Database: PDB / ID: 7xp0 | ||||||
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Title | Crystal structure of PmiR from Pseudomonas aeruginosa | ||||||
Components | Probable transcriptional regulator | ||||||
Keywords | SIGNALING PROTEIN / PmiR / 2-methylcitrate cycle / bacterial virulence | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Pseudomonas aeruginosa PAO1 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.61 Å | ||||||
Authors | Zhang, Y.X. / Liang, H.H. / Gan, J.H. | ||||||
Funding support | China, 1items
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Citation | Journal: Sci Adv / Year: 2022 Title: PmiR senses 2-methylisocitrate levels to regulate bacterial virulence in Pseudomonas aeruginosa. Authors: Cui, G. / Zhang, Y. / Xu, X. / Liu, Y. / Li, Z. / Wu, M. / Liu, J. / Gan, J. / Liang, H. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7xp0.cif.gz | 96.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7xp0.ent.gz | 72.2 KB | Display | PDB format |
PDBx/mmJSON format | 7xp0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xp/7xp0 ftp://data.pdbj.org/pub/pdb/validation_reports/xp/7xp0 | HTTPS FTP |
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-Related structure data
Related structure data | 7xp1C 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: 25027.408 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa PAO1 (bacteria) / Gene: PA0797 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9I5E1 | ||||
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#2: Chemical | ChemComp-ZN / | ||||
#3: Chemical | #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.66 Å3/Da / Density % sol: 54 % / Description: block |
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Crystal grow | Temperature: 290 K / Method: vapor diffusion, hanging drop / Details: MES/Sodium hydroxide, Magnesium sulfate |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL19U1 / Wavelength: 0.9793 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Oct 18, 2021 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.9793 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.6→30 Å / Num. obs: 8283 / % possible obs: 98.6 % / Redundancy: 8.7 % / Biso Wilson estimate: 35.53 Å2 / Rmerge(I) obs: 0.115 / Rpim(I) all: 0.037 / Rrim(I) all: 0.121 / Χ2: 0.941 / Net I/σ(I): 15.1 / Num. measured all: 71992 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: model generated by Alphafold2 Resolution: 2.61→29.38 Å / SU ML: 0.29 / Cross valid method: THROUGHOUT / σ(F): 1.49 / Phase error: 25.54 / Stereochemistry target values: ML
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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 max: 132.47 Å2 / Biso mean: 49.669 Å2 / Biso min: 13.8 Å2 | ||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.61→29.38 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 3
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Refinement TLS params. | Method: refined / Origin x: -32.8019 Å / Origin y: -26.1226 Å / Origin z: -23.2835 Å
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Refinement TLS group |
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