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Open data
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Basic information
Entry | Database: PDB / ID: 5g1u | ||||||
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Title | Linalool Dehydratase Isomerase in complex with Geraniol | ||||||
![]() | LINALOOL DEHYDRATASE/ISOMERASE | ||||||
![]() | LYASE / HYDRATASE / ISOMERASE / TERPENE | ||||||
Function / homology | ![]() linalool dehydratase / geraniol isomerase / monoterpene catabolic process / intramolecular hydroxytransferase activity / monoterpenoid metabolic process / hydro-lyase activity / : / protein tetramerization / periplasmic space Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Chambers, S. / Hau, A. / Man, H. / Omar, M. / Turkenburg, J.P. / Grogan, G. | ||||||
![]() | ![]() Title: Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Authors: Nestl, B.M. / Geinitz, C. / Popa, S. / Rizek, S. / Haselbeck, R.J. / Stephen, R. / Noble, M.A. / Fischer, M.P. / Ralph, E.C. / Hau, H.T. / Man, H. / Omar, M. / Turkenburg, J.P. / van Dien, S. ...Authors: Nestl, B.M. / Geinitz, C. / Popa, S. / Rizek, S. / Haselbeck, R.J. / Stephen, R. / Noble, M.A. / Fischer, M.P. / Ralph, E.C. / Hau, H.T. / Man, H. / Omar, M. / Turkenburg, J.P. / van Dien, S. / Culler, S.J. / Grogan, G. / Hauer, B. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 373.8 KB | Display | ![]() |
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PDB format | ![]() | 307.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 463.5 KB | Display | ![]() |
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Full document | ![]() | 479.4 KB | Display | |
Data in XML | ![]() | 69.8 KB | Display | |
Data in CIF | ![]() | 97.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper:
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Components
#1: Protein | Mass: 42462.660 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: E1XUJ2, linalool dehydratase, geraniol isomerase #2: Chemical | ChemComp-64Z / #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.79 Å3/Da / Density % sol: 55.9 % / Description: NONE |
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Crystal grow | pH: 7 Details: 1.1 M SODIUM TARTRATE AT PH 7.0 WITH 1% (W/V) GLYCEROL |
-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Date: Oct 16, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97949 Å / Relative weight: 1 |
Reflection | Resolution: 2.57→90.92 Å / Num. obs: 79198 / % possible obs: 100 % / Observed criterion σ(I): 2 / Redundancy: 6.7 % / Rmerge(I) obs: 0.15 / Net I/σ(I): 9.4 |
Reflection shell | Resolution: 2.57→2.65 Å / Redundancy: 6.9 % / Rmerge(I) obs: 0.67 / Mean I/σ(I) obs: 2.6 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: SEMET STRUCTURE Resolution: 2.57→90.92 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.941 / SU B: 9.125 / SU ML: 0.184 / Cross valid method: THROUGHOUT / ESU R: 0.498 / ESU R Free: 0.238 / 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: 41.037 Å2
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Refinement step | Cycle: LAST / Resolution: 2.57→90.92 Å
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Refine LS restraints |
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