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- PDB-4la5: Crystal structure of 2-methylisoborneol synthase from Streptomyce... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4la5 | ||||||
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Title | Crystal structure of 2-methylisoborneol synthase from Streptomyces coelicolor A3(2) | ||||||
![]() | 2-methylisoborneol synthase | ||||||
![]() | LYASE / terpenoid biosynthesis / biosynthesis / isoprenoid synthase fold | ||||||
Function / homology | ![]() 2-methylisoborneol synthase / terpene metabolic process / terpene synthase activity / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Koksal, M. / Christianson, D.W. | ||||||
![]() | ![]() Title: Unexpected reactivity of 2-fluorolinalyl diphosphate in the active site of crystalline 2-methylisoborneol synthase. Authors: Koksal, M. / Chou, W.K. / Cane, D.E. / Christianson, D.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 82.2 KB | Display | ![]() |
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PDB format | ![]() | 59.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 435 KB | Display | ![]() |
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Full document | ![]() | 442.4 KB | Display | |
Data in XML | ![]() | 15.4 KB | Display | |
Data in CIF | ![]() | 21.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4la6C ![]() 3v1vS 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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1 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 50144.902 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.59 Å3/Da / Density % sol: 52.44 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 100 mM bis-Tris (pH 6.5), 25% polyethylene glycol 3350, 200 mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 29, 2012 / Details: mirrors |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.1 Å / Relative weight: 1 |
Reflection | Resolution: 1.85→50 Å / Num. all: 45521 / Num. obs: 45481 / % possible obs: 99.87 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 12.5 % / Biso Wilson estimate: 30.25 Å2 / Rmerge(I) obs: 0.075 / Rsym value: 0.075 / Net I/σ(I): 35.714 |
Reflection shell | Resolution: 1.85→1.92 Å / Redundancy: 11 % / Rmerge(I) obs: 0.01168 / Mean I/σ(I) obs: 2.11 / Num. unique all: 4408 / Rsym value: 0.01168 / % possible all: 99.1 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3V1V Resolution: 1.849→49.725 Å / SU ML: 0.23 / Cross valid method: THROUGHOUT / σ(F): 0 / Phase error: 21.69 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 48.425 Å2 / ksol: 0.407 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 36.3 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.849→49.725 Å
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Refine LS restraints |
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LS refinement shell |
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