+Open data
-Basic information
Entry | Database: PDB / ID: 6j2s | ||||||
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Title | Structure of HitA bound to gallium from Pseudomonas aeruginosa | ||||||
Components | Ferric iron-binding periplasmic protein | ||||||
Keywords | METAL BINDING PROTEIN / HitA / Gallium / metal-drug / ferric iron binding protein / transporter | ||||||
Function / homology | Function and homology information : / outer membrane-bounded periplasmic space / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | Pseudomonas aeruginosa (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.73005117666 Å | ||||||
Authors | Guo, Y. / Li, H.Y. / Sun, H.Z. / Xia, W. | ||||||
Citation | Journal: Acs Infect Dis. / Year: 2019 Title: Identification and Characterization of a Metalloprotein Involved in Gallium Internalization in Pseudomonas aeruginosa. Authors: Guo, Y. / Li, W. / Li, H. / Xia, W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6j2s.cif.gz | 160.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6j2s.ent.gz | 100.7 KB | Display | PDB format |
PDBx/mmJSON format | 6j2s.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6j2s_validation.pdf.gz | 1.4 MB | Display | wwPDB validaton report |
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Full document | 6j2s_full_validation.pdf.gz | 1.4 MB | Display | |
Data in XML | 6j2s_validation.xml.gz | 23.3 KB | Display | |
Data in CIF | 6j2s_validation.cif.gz | 33.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/j2/6j2s ftp://data.pdbj.org/pub/pdb/validation_reports/j2/6j2s | HTTPS FTP |
-Related structure data
Related structure data | 6ivySC 6iwfC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 33208.535 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) Gene: fbpA, C8257_29030, CAZ10_24620, CGU42_22375, DZ940_19785, DZ962_30390, NCTC13719_05161, PAERUG_E15_London_28_01_14_01851, RW109_RW109_06267 Production host: Escherichia coli (E. coli) / References: UniProt: A0A072ZDH2, UniProt: Q9HVA8*PLUS #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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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: 2.12 Å3/Da / Density % sol: 42.11 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5 / Details: PEG 3350, Sodium-cacodylate, Magnesium acetate |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 20, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.73→48.4 Å / Num. obs: 51047 / % possible obs: 88 % / Redundancy: 3.1 % / Biso Wilson estimate: 20.061810712 Å2 / Rmerge(I) obs: 0.088 / Rpim(I) all: 0.082 / Rrim(I) all: 0.12 / Net I/σ(I): 9.3 |
Reflection shell | Resolution: 1.73→1.79 Å / Redundancy: 2.1 % / Rmerge(I) obs: 0.45 / Rpim(I) all: 0.423 / Rrim(I) all: 0.616 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6IVY Resolution: 1.73005117666→48.3544326644 Å / SU ML: 0.208585883619 / Cross valid method: FREE R-VALUE / σ(F): 1.4188773503 / Phase error: 24.112282637
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.1618825616 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.73005117666→48.3544326644 Å
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Refine LS restraints |
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LS refinement shell |
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