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- PDB-5aif: Discovery and characterization of thermophilic limonene-1,2-epoxi... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5aif | ||||||
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Title | Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. Tomsk-sample-Native | ||||||
![]() | LIMONENE-1,2-EPOXIDE HYDROLASE | ||||||
![]() | HYDROLASE | ||||||
Function / homology | Nuclear Transport Factor 2; Chain: A, - #50 / Nuclear Transport Factor 2; Chain: A, / Roll / Alpha Beta / IMIDAZOLE![]() | ||||||
Biological species | UNIDENTIFIED (others) | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Ferrandi, E. / Sayer, C. / Isupov, M.N. / Annovazzi, C. / Marchesi, C. / Iacobone, G. / Peng, X. / Bonch-Osmolovskaya, E. / Wohlgemuth, R. / Littlechild, J.A. / Montia, D. | ||||||
![]() | ![]() Title: Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries Authors: Ferrandi, E.E. / Sayer, C. / Isupov, M.N. / Annovazzi, C. / Marchesi, C. / Iacobone, G. / Peng, X. / Bonch-Osmolovskaya, E. / Wohlgemuth, R. / Littlechild, J.A. / Montia, D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 147.5 KB | Display | ![]() |
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PDB format | ![]() | 120 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 450.1 KB | Display | ![]() |
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Full document | ![]() | 454.4 KB | Display | |
Data in XML | ![]() | 17.8 KB | Display | |
Data in CIF | ![]() | 27.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5aigC ![]() 5aihC ![]() 5aiiC ![]() 1nwwS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.206, 0.978, 0.033), Vector: |
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Components
#1: Protein | Mass: 14097.941 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) UNIDENTIFIED (others) / Plasmid: PRHAM / Production host: ![]() ![]() #2: Chemical | ChemComp-IMD / #3: Water | ChemComp-HOH / | Sequence details | GENBANK KP765711 | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.75 Å3/Da / Density % sol: 55.7 % / Description: NONE |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.92 Å / Relative weight: 1 |
Reflection | Resolution: 1.26→41.7 Å / Num. obs: 82450 / % possible obs: 99.9 % / Observed criterion σ(I): 2 / Redundancy: 10.1 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 20.4 |
Reflection shell | Resolution: 1.26→1.29 Å / Redundancy: 9.2 % / Rmerge(I) obs: 1.04 / Mean I/σ(I) obs: 2.1 / % possible all: 99.1 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1NWW Resolution: 1.26→41.73 Å / Cor.coef. Fo:Fc: 0.983 / Cor.coef. Fo:Fc free: 0.98 / SU B: 1.247 / SU ML: 0.024 / Cross valid method: THROUGHOUT / ESU R: 0.035 / ESU R Free: 0.034 / 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: 19.291 Å2
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Refinement step | Cycle: LAST / Resolution: 1.26→41.73 Å
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Refine LS restraints |
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