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Open data
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Basic information
Entry | Database: PDB / ID: 8qwr | ||||||
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Title | Crystal structure of CotB2 variant V80L | ||||||
![]() | Cyclooctat-9-en-7-ol synthase | ||||||
![]() | LYASE / TERPENE SYNTHASE / CYCLOOCTATIN | ||||||
Function / homology | cyclooctat-9-en-7-ol synthase / Terpene synthase family 2, C-terminal metal binding / Isoprenoid synthase domain superfamily / isomerase activity / lyase activity / metal ion binding / Cyclooctat-9-en-7-ol synthase![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Dimos, N. / Himpich, S. / Ringel, M. / Driller, R. / Major, D.T. / Brueck, T. / Loll, B. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Crystal structure of CotB2 variant V80L Authors: Dimos, N. / Himpich, S. / Driller, R. / 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 | ![]() | 170.2 KB | Display | ![]() |
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PDB format | ![]() | 109.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 4omgS S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 36784.551 Da / Num. of mol.: 2 / Mutation: V80L Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: CotB2 / Production host: ![]() ![]() #2: Chemical | #3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | Has ligand of interest | N | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 44.21 % |
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Crystal grow | Temperature: 291.15 K / Method: vapor diffusion, sitting drop / pH: 10 / Details: 0.1M CAPS pH 10.0, 19% PEG8000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 7, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→50 Å / Num. obs: 72214 / % possible obs: 99.9 % / Redundancy: 13 % / Biso Wilson estimate: 31.9 Å2 / CC1/2: 0.99 / Rrim(I) all: 0.061 / Net I/σ(I): 22.9 |
Reflection shell | Resolution: 1.7→1.8 Å / Mean I/σ(I) obs: 5.2 / Num. unique obs: 11239 / CC1/2: 0.984 / Rrim(I) all: 0.521 / % possible all: 99.9 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4OMG Resolution: 1.7→47.83 Å / SU ML: 0.1343 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 23.9657 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 30.1 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.7→47.83 Å
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Refine LS restraints |
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LS refinement shell |
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