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- PDB-6ggi: Crystal structure of CotB2 in complex with 2-fluoro-3,7,18-dolabe... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6ggi | ||||||
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Title | Crystal structure of CotB2 in complex with 2-fluoro-3,7,18-dolabellatriene | ||||||
![]() | Cyclooctat-9-en-7-ol synthase | ||||||
![]() | LYASE / terpene synthase / cyclooctatin | ||||||
Function / homology | ![]() cyclooctat-9-en-7-ol synthase / isomerase activity / lyase activity / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Driller, R. / Janke, S. / Fuchs, M. / Warner, E. / Mhashal, A.R. / Major, D.T. / Christmann, M. / Brueck, T. / Loll, B. | ||||||
![]() | ![]() Title: Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis. Authors: Driller, R. / Janke, S. / Fuchs, M. / Warner, E. / Mhashal, A.R. / Major, D.T. / Christmann, M. / Bruck, T. / Loll, 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 | ![]() | 148.1 KB | Display | ![]() |
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PDB format | ![]() | 113.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.4 MB | Display | ![]() |
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Full document | ![]() | 1.4 MB | Display | |
Data in XML | ![]() | 28.5 KB | Display | |
Data in CIF | ![]() | 39.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6ggjC ![]() 6ggkC ![]() 6gglC ![]() 4omgS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 36770.523 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: CotB2 / Production host: ![]() ![]() |
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-Non-polymers , 9 types, 306 molecules ![](data/chem/img/MG.gif)
![](data/chem/img/PPV.gif)
![](data/chem/img/EXW.gif)
![](data/chem/img/MPD.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/CCN.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/K.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/PPV.gif)
![](data/chem/img/EXW.gif)
![](data/chem/img/MPD.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/CCN.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/K.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-MG / #3: Chemical | #4: Chemical | #5: Chemical | #6: Chemical | #7: Chemical | ChemComp-CCN / | #8: Chemical | #9: Chemical | #10: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.23 Å3/Da / Density % sol: 44.95 % |
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Crystal grow | Temperature: 291.15 K / Method: vapor diffusion, sitting drop Details: 30% (v/v) polyethylene glycol 400, 100 mM HEPES at pH 7.5 and 200 mM MgCl2 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: Oct 1, 2015 |
Radiation | Monochromator: SI111-DCM / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9184 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→44.74 Å / Num. obs: 61262 / % possible obs: 99.6 % / Redundancy: 6.6 % / Rrim(I) all: 0.114 / Net I/σ(I): 14.4 |
Reflection shell | Resolution: 1.8→1.87 Å / Mean I/σ(I) obs: 1.9 / Num. unique obs: 9672 / Rrim(I) all: 1.146 / % possible all: 98.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4OMG Resolution: 1.803→44.737 Å / SU ML: 0.2 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 21.03
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.803→44.737 Å
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Refine LS restraints |
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LS refinement shell |
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