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- PDB-7e6w: Crystal structure of Sesquisabinene B Synthase 1 mutant G418A and... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7e6w | ||||||
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Title | Crystal structure of Sesquisabinene B Synthase 1 mutant G418A and F419N | ||||||
![]() | Sesquisabinene B synthase 1 | ||||||
![]() | LYASE / Terpene synthase / Santalum album / Farnesyl Pyrophosphate / sandalwood oil | ||||||
Function / homology | ![]() diterpenoid biosynthetic process / terpene synthase activity / magnesium ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Singh, S. / Thulasiram, H.V. / Kulkarni, K.A. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Crystal structure of Sesquisabinene B Synthase 1 mutant G418A and F419N Authors: Singh, S. / Thulasiram, H.V. / Kulkarni, K.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 424.5 KB | Display | ![]() |
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PDB format | ![]() | 351.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 454.1 KB | Display | ![]() |
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Full document | ![]() | 480.3 KB | Display | |
Data in XML | ![]() | 37 KB | Display | |
Data in CIF | ![]() | 50.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6k16S S: Starting model for refinement |
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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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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 64248.648 Da / Num. of mol.: 2 / Mutation: G418A, F419N Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.39 Å3/Da / Density % sol: 48.55 % |
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Crystal grow | Temperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.1M MES (pH-6.5), 0.1M Magnesium Acetate, 10% PEG 10,000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jan 27, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.976 Å / Relative weight: 1 |
Reflection | Resolution: 3.1→47.58 Å / Num. obs: 21943 / % possible obs: 99.8 % / Redundancy: 6.2 % / Biso Wilson estimate: 86.54 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.081 / Rpim(I) all: 0.053 / Rrim(I) all: 0.097 / Net I/σ(I): 11.5 |
Reflection shell | Resolution: 3.1→3.31 Å / Redundancy: 6.4 % / Rmerge(I) obs: 0.859 / Mean I/σ(I) obs: 1.7 / Num. unique obs: 3923 / CC1/2: 0.895 / Rpim(I) all: 0.554 / Rrim(I) all: 1 / % possible all: 99.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6K16 Resolution: 3.1→45.61 Å / SU ML: 0.54 / Cross valid method: FREE R-VALUE / σ(F): 1.97 / Phase error: 34.68 / 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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.1→45.61 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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