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- PDB-9iqi: Structure of oleate hydratase mutant - V135A/L212V from Staphyloc... -
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Open data
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Basic information
Entry | Database: PDB / ID: 9iqi | ||||||
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Title | Structure of oleate hydratase mutant - V135A/L212V from Staphylococcus aureus in the complex with FAD | ||||||
![]() | Oleate hydratase | ||||||
![]() | LYASE / oleate hydratase | ||||||
Function / homology | oleate hydratase / oleate hydratase activity / Oleate hydratase / MCRA family / FAD binding / fatty acid metabolic process / FAD/NAD(P)-binding domain superfamily / FLAVIN-ADENINE DINUCLEOTIDE / Myosin-cross-reactive antigen![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Xue, S. / Feng, T. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Cooperative Evolution of Oleate Hydratase via Combinatorial Distal Site Mutations Authors: Xue, S. / Feng, T. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 448 KB | Display | ![]() |
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PDB format | ![]() | 293.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 973.3 KB | Display | ![]() |
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Full document | ![]() | 991.2 KB | Display | |
Data in XML | ![]() | 71.3 KB | Display | |
Data in CIF | ![]() | 91.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 9iqaC ![]() 9iqjC ![]() 7kawS C: citing same article ( 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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2 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 67817.422 Da / Num. of mol.: 3 / Mutation: V135A,L212V Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Gene: EP54_06595, EQ90_12415, GO814_02765, GO942_14045, GZ163_10760, HMPREF3211_02399 Production host: ![]() ![]() #2: Chemical | #3: Water | ChemComp-HOH / | Has ligand of interest | Y | Has protein modification | N | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.69 Å3/Da / Density % sol: 54.28 % |
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Crystal grow | Temperature: 300 K / Method: vapor diffusion, hanging drop Details: 0.2 M Ammooium citrate tribasic pH 7.0, 15 % w/v Polyethylene glycol 3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: Jan 9, 2024 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9793 Å / Relative weight: 1 |
Reflection | Resolution: 2.44→39.53 Å / Num. obs: 79192 / % possible obs: 97.95 % / Redundancy: 5.8 % / Biso Wilson estimate: 40.02 Å2 / CC1/2: 0.976 / CC star: 0.994 / Rmerge(I) obs: 0.1658 / Rrim(I) all: 0.1831 / Net I/σ(I): 12.77 |
Reflection shell | Resolution: 2.44→2.52 Å / Redundancy: 6 % / Rmerge(I) obs: 0.453 / Mean I/σ(I) obs: 2.72 / Num. unique obs: 7610 / CC1/2: 0.942 / CC star: 0.985 / % possible all: 94.65 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 7KAW Resolution: 2.44→39.53 Å / SU ML: 0.2705 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 29.3647 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 51.67 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.44→39.53 Å
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Refine LS restraints |
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LS refinement shell |
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