+Open data
-Basic information
Entry | Database: PDB / ID: 5iq3 | ||||||
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Title | Crystal structure of Esterase mutant - F72G/L255W | ||||||
Components | Esterase | ||||||
Keywords | HYDROLASE / Esterase / Est25 / Hormone-Sensitive Lipase | ||||||
Function / homology | Function and homology information | ||||||
Biological species | uncultured bacterium (environmental samples) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.75 Å | ||||||
Authors | Seok, S.-H. / Seo, M.-D. / Kim, J. / Ryu, Y. | ||||||
Citation | Journal: To Be Published Title: Crystal structure of Esterase mutant - F72G Authors: Seok, S.-H. / Seo, M.-D. / Kim, J. / Ryu, Y. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5iq3.cif.gz | 292 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5iq3.ent.gz | 235.6 KB | Display | PDB format |
PDBx/mmJSON format | 5iq3.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 5iq3_validation.pdf.gz | 451.2 KB | Display | wwPDB validaton report |
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Full document | 5iq3_full_validation.pdf.gz | 462.2 KB | Display | |
Data in XML | 5iq3_validation.xml.gz | 60.4 KB | Display | |
Data in CIF | 5iq3_validation.cif.gz | 90.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/iq/5iq3 ftp://data.pdbj.org/pub/pdb/validation_reports/iq/5iq3 | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 38321.836 Da / Num. of mol.: 4 / Mutation: F72G,L255W Source method: isolated from a genetically manipulated source Source: (gene. exp.) uncultured bacterium (environmental samples) Production host: Escherichia coli (E. coli) / References: UniProt: Q4TZQ3 #2: 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: 3 Å3/Da / Density % sol: 58.98 % |
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Crystal grow | Temperature: 299 K / Method: microbatch / pH: 7 / Details: 2.4 M sodium malonate (pH 7.0) |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: PAL/PLS / Beamline: 7A (6B, 6C1) / Wavelength: 1.00004 Å |
Detector | Type: ADSC QUANTUM 270 / Detector: CCD / Date: Mar 2, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.00004 Å / Relative weight: 1 |
Reflection | Resolution: 1.75→25.36 Å / Num. obs: 182179 / % possible obs: 99.9 % / Redundancy: 6.2 % / Net I/σ(I): 33.67 |
Reflection shell | Resolution: 1.75→1.81 Å / Redundancy: 6.2 % / Mean I/σ(I) obs: 4.63 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.75→25.36 Å / SU ML: 0.16 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 18.88
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.75→25.36 Å
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Refine LS restraints |
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LS refinement shell |
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