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Yorodumi- PDB-4uhc: Structural studies of a thermophilic esterase from Thermogutta te... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4uhc | ||||||
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Title | Structural studies of a thermophilic esterase from Thermogutta terrifontis (Native) | ||||||
Components | ESTERASE | ||||||
Keywords | HYDROLASE / ALPHA BETA HYDROLASE | ||||||
Function / homology | Function and homology information | ||||||
Biological species | PLANCTOMYCETES BACTERIUM R1 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.03 Å | ||||||
Authors | Sayer, C. / Isupov, M.N. / Bonch-Osmolovskaya, E. / Littlechild, J.A. | ||||||
Citation | Journal: FEBS J. / Year: 2015 Title: Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis. Authors: Sayer, C. / Isupov, M.N. / Bonch-Osmolovskaya, E. / Littlechild, J.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4uhc.cif.gz | 153 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4uhc.ent.gz | 122.5 KB | Display | PDB format |
PDBx/mmJSON format | 4uhc.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uh/4uhc ftp://data.pdbj.org/pub/pdb/validation_reports/uh/4uhc | HTTPS FTP |
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-Related structure data
Related structure data | 4uhdC 4uheC 4uhfC 4uhhC 2xuaS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 31172.900 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) PLANCTOMYCETES BACTERIUM R1 (bacteria) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): ARCTICEXPRESS RIL / References: UniProt: A0A0M3KKY6*PLUS, carboxylesterase | ||
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#2: Chemical | #3: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.02 Å3/Da / Density % sol: 38.7 % / Description: NONE |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763 |
Detector | Type: DECTRIS PIXEL / Detector: PIXEL |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 1.03→75.5 Å / Num. obs: 121070 / % possible obs: 98.4 % / Observed criterion σ(I): 2 / Redundancy: 8 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 18.5 |
Reflection shell | Resolution: 1.03→1.06 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.62 / Mean I/σ(I) obs: 2.4 / % possible all: 84 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2XUA Resolution: 1.03→75.54 Å / Cor.coef. Fo:Fc: 0.984 / Cor.coef. Fo:Fc free: 0.981 / SU B: 0.567 / SU ML: 0.013 / Cross valid method: THROUGHOUT / ESU R: 0.021 / ESU R Free: 0.022 / 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: 14.386 Å2
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Refinement step | Cycle: LAST / Resolution: 1.03→75.54 Å
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Refine LS restraints |
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