+Open data
-Basic information
Entry | Database: PDB / ID: 6o9q | ||||||
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Title | Wild-type SaSQS1 | ||||||
Components | Sesquisabinene B synthase 1 | ||||||
Keywords | LYASE / Terpene / Cyclase / Sesquisabinene | ||||||
Function / homology | Function and homology information diterpenoid biosynthetic process / terpene synthase activity / magnesium ion binding Similarity search - Function | ||||||
Biological species | Santalum album (white sandalwood) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å | ||||||
Authors | Blank, P.N. / Christianson, D.W. | ||||||
Funding support | United States, 1items
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Citation | Journal: Acs Chem.Biol. / Year: 2019 Title: Structure of Sesquisabinene Synthase 1, a Terpenoid Cyclase That Generates a Strained [3.1.0] Bridged-Bicyclic Product. Authors: Blank, P.N. / Shinsky, S.A. / Christianson, D.W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6o9q.cif.gz | 123.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6o9q.ent.gz | 93.9 KB | Display | PDB format |
PDBx/mmJSON format | 6o9q.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6o9q_validation.pdf.gz | 450.6 KB | Display | wwPDB validaton report |
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Full document | 6o9q_full_validation.pdf.gz | 452.8 KB | Display | |
Data in XML | 6o9q_validation.xml.gz | 22.2 KB | Display | |
Data in CIF | 6o9q_validation.cif.gz | 32.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/o9/6o9q ftp://data.pdbj.org/pub/pdb/validation_reports/o9/6o9q | HTTPS FTP |
-Related structure data
Related structure data | 6o9pC 5uv0S S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 65294.867 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Santalum album (white sandalwood) / Production host: Escherichia coli (E. coli) / References: UniProt: A0A0A0RDR2 | ||||
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#2: Chemical | ChemComp-EDO / #3: Chemical | ChemComp-ACT / | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46.43 % |
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Crystal grow | Temperature: 294.15 K / Method: vapor diffusion, sitting drop / pH: 6 Details: 6% (v/v) Tacsimate, 0.1 M MES monohydrate (pH = 6.0), 25% (w/v) polyethylene glycol 4000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.98 Å |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 6, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→60.95 Å / Num. obs: 47868 / % possible obs: 100 % / Redundancy: 10.9 % / CC1/2: 0.999 / Rmerge(I) obs: 0.075 / Rpim(I) all: 0.023 / Net I/σ(I): 15.2 |
Reflection shell | Resolution: 1.9→1.94 Å / Redundancy: 11 % / Rmerge(I) obs: 1.46 / Mean I/σ(I) obs: 1.8 / Num. unique obs: 3065 / CC1/2: 0.58 / Rpim(I) all: 0.457 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5UV0 Resolution: 1.9→60.945 Å / SU ML: 0.26 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 25.16
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.9→60.945 Å
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Refine LS restraints |
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LS refinement shell |
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