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- PDB-7wat: The Crystal Structure of Bifunctional Miltiradiene Synthase from ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7wat | ||||||
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Title | The Crystal Structure of Bifunctional Miltiradiene Synthase from Selaginella moellendorffii | ||||||
![]() | Bifunctional diterpene synthase | ||||||
![]() | PLANT PROTEIN / bifunctional terpene synthase / GGPP / CPP / miltiradiene | ||||||
Function / homology | ![]() miltiradiene synthase / miltiradiene synthase activity / miltiradiene biosynthetic process / 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate catabolic process / 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate biosynthetic process / copalyl diphosphate synthase activity / copalyl diphosphate synthase / diterpenoid biosynthetic process / terpene synthase activity / chloroplast / magnesium ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Ma, X. / Tong, Y. / Jiang, T. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structural and mechanistic insights into the precise product synthesis by a bifunctional miltiradiene synthase. Authors: Tong, Y. / Ma, X. / Hu, T. / Chen, K. / Cui, G. / Su, P. / Xu, H. / Gao, W. / Jiang, T. / Huang, L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 181.9 KB | Display | ![]() |
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PDB format | ![]() | 136.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 426.1 KB | Display | ![]() |
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Full document | ![]() | 433.3 KB | Display | |
Data in XML | ![]() | 30.8 KB | Display | |
Data in CIF | ![]() | 45.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7y47C ![]() 3s9vS S: Starting model for refinement C: citing same article ( |
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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: 91542.477 Da / Num. of mol.: 1 / Mutation: A136P, L264I, D314G, P409T, R632K Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Production host: ![]() ![]() References: UniProt: G9MAN7, copalyl diphosphate synthase, miltiradiene synthase |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.51 Å3/Da / Density % sol: 50.93 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / Details: 0.1 M MES (pH 6.5) 22% (v/v) PEG 2000 MME |
-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: Dec 28, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97853 Å / Relative weight: 1 |
Reflection | Resolution: 2→50 Å / Num. obs: 57086 / % possible obs: 93.01 % / Redundancy: 7.4 % / Biso Wilson estimate: 35.99 Å2 / Rrim(I) all: 0.172 / Net I/σ(I): 11.3 |
Reflection shell | Resolution: 2→2.07 Å / Num. unique obs: 5031 / Rpim(I) all: 0.663 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3S9V Resolution: 2→48.24 Å / SU ML: 0.2568 / Cross valid method: NONE / σ(F): 1.34 / Phase error: 24.9857 / Stereochemistry target values: 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: 42.27 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→48.24 Å
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Refine LS restraints |
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LS refinement shell |
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