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Yorodumi- PDB-2o6t: Crystal structure of the PA5185 protein from Pseudomonas Aerugino... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2o6t | ||||||
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Title | Crystal structure of the PA5185 protein from Pseudomonas Aeruginosa strain PAO1- orthorhombic form (P2221). | ||||||
Components | THIOESTERASE | ||||||
Keywords | HYDROLASE / putative thioesterase / hot-dog fold | ||||||
Function / homology | Thioesterase-like superfamily / fatty acyl-CoA hydrolase activity / Thioesterase superfamily / Hotdog Thioesterase / Thiol Ester Dehydrase; Chain A / HotDog domain superfamily / Roll / Alpha Beta / Uncharacterized protein Function and homology information | ||||||
Biological species | Pseudomonas aeruginosa (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.55 Å | ||||||
Authors | Chruszcz, M. / Koclega, K.D. / Evdokimova, E. / Cymborowski, M. / Kudritska, M. / Savchenko, A. / Edwards, A. / Minor, W. | ||||||
Citation | Journal: Cryst.Growth Des. / Year: 2008 Title: Function-biased choice of additives for optimization of protein crystallization - the case of the putative thioesterase PA5185 from Pseudomonas aeruginosa PAO1. Authors: Chruszcz, M. / Zimmerman, M.D. / Wang, S. / Koclega, K.D. / Zheng, H. / Evdokimova, E. / Kudritska, M. / Cymborowski, M. / Savchenko, A. / Edwards, A. / Minor, W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2o6t.cif.gz | 178.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2o6t.ent.gz | 142.6 KB | Display | PDB format |
PDBx/mmJSON format | 2o6t.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2o6t_validation.pdf.gz | 464.9 KB | Display | wwPDB validaton report |
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Full document | 2o6t_full_validation.pdf.gz | 475.8 KB | Display | |
Data in XML | 2o6t_validation.xml.gz | 34.3 KB | Display | |
Data in CIF | 2o6t_validation.cif.gz | 48.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/o6/2o6t ftp://data.pdbj.org/pub/pdb/validation_reports/o6/2o6t | HTTPS FTP |
-Related structure data
Related structure data | 2av9SC 2o5uC 2o6bC 2o6uC 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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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: ARG / Beg label comp-ID: ARG / Refine code: 4
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-Components
#1: Protein | Mass: 16675.775 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Gene: PA5185 / Plasmid: PET15B / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q9HU04 #2: Chemical | ChemComp-CL / #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: 2.73 Å3/Da / Density % sol: 55.02 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5.5 Details: 25% PEG 3350, O.1M Bis-Tris pH 5.5, 0.5% NDSB-201, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9794 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Oct 21, 2005 / Details: mirrors |
Radiation | Monochromator: Si 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9794 Å / Relative weight: 1 |
Reflection | Resolution: 2.55→50 Å / Num. all: 36563 / Num. obs: 36563 / % possible obs: 99.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 6.8 % / Rmerge(I) obs: 0.121 / Rsym value: 0.095 / Net I/σ(I): 16.5 |
Reflection shell | Resolution: 2.55→2.64 Å / Redundancy: 4.4 % / Rmerge(I) obs: 0.508 / Mean I/σ(I) obs: 2.3 / Num. unique all: 3515 / Rsym value: 0.429 / % possible all: 98.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 2AV9 Resolution: 2.55→39.53 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.903 / SU B: 16.864 / SU ML: 0.187 / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / ESU R: 0.473 / ESU R Free: 0.289 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. REFMAC 5.2.0019 AND COOT WERE USED FOR REFINEMENT.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 21.251 Å2
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Refinement step | Cycle: LAST / Resolution: 2.55→39.53 Å
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Refine LS restraints |
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Refine LS restraints NCS | Ens-ID: 1 / Number: 1034 / Refine-ID: X-RAY DIFFRACTION
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LS refinement shell | Resolution: 2.55→2.616 Å / Total num. of bins used: 20
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