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Yorodumi- PDB-1yre: Hypothetical protein PA3270 from Pseudomonas aeruginosa in comple... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1yre | ||||||
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Title | Hypothetical protein PA3270 from Pseudomonas aeruginosa in complex with CoA | ||||||
Components | hypothetical protein PA3270Hypothesis | ||||||
Keywords | STRUCTURAL GENOMICS / UNKNOWN FUNCTION / APC5563 / PA3270 / Midwest Center for Structural Genomics / MSCG / Protein Structure Initiative / PSI / MCSG | ||||||
Function / homology | Function and homology information acyltransferase activity, transferring groups other than amino-acyl groups Similarity search - Function | ||||||
Biological species | Pseudomonas aeruginosa (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.15 Å | ||||||
Authors | Lunin, V.V. / Osipiuk, J. / Savchenko, A. / Edwards, A.M. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG) | ||||||
Citation | Journal: To be Published Title: The crystal structure of hypothetical protein PA3270 from Pseudomonas aeruginosa in complex with CoA Authors: Lunin, V.V. / Skarina, T. / Osipiuk, J. / Joachimiak, A. / Edwards, A.M. / Savchenko, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1yre.cif.gz | 167.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1yre.ent.gz | 134.7 KB | Display | PDB format |
PDBx/mmJSON format | 1yre.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/yr/1yre ftp://data.pdbj.org/pub/pdb/validation_reports/yr/1yre | HTTPS FTP |
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-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Details | The biological assembly is a dimer. The asymmetric unit contains two dimers (chains A.B) and (chains C,D) |
-Components
#1: Protein | Mass: 22125.426 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Strain: PAO1 / Plasmid: MODIFIED PET15B / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21 DE3 / References: GenBank: 9949395, UniProt: Q9HYX1*PLUS #2: Chemical | ChemComp-COA / #3: 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: 2.1 Å3/Da / Density % sol: 42 % |
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Crystal grow | Temperature: 297 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 0.2M NaCl, 0.1M TrisHCl, 25%PEG3350, 1mM AcCoA, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 17-BM / Wavelength: 0.97906 / Wavelength: 0.97906 Å |
Detector | Type: CUSTOM-MADE / Detector: CCD / Date: Nov 28, 2004 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97906 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→50 Å / Num. all: 43452 / Num. obs: 43452 / % possible obs: 96.9 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 3.9 % / Rsym value: 0.075 / Net I/σ(I): 16.7 |
Reflection shell | Resolution: 2.1→2.18 Å / Redundancy: 3.6 % / Mean I/σ(I) obs: 2.16 / Num. unique all: 7890 / Rsym value: 0.576 / % possible all: 93 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 2.15→50 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.93 / SU B: 6.778 / SU ML: 0.177 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.318 / ESU R Free: 0.239 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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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: 32.333 Å2
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Refinement step | Cycle: LAST / Resolution: 2.15→50 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.15→2.206 Å / Total num. of bins used: 20
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