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Open data
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Basic information
Entry | Database: PDB / ID: 4wx0 | ||||||
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Title | UndA complexed with beta-hydroxydodecanoic acid | ||||||
![]() | TENA/THI-4 family protein | ||||||
![]() | OXIDOREDUCTASE / Non-heme iron dependent desaturase/decarboxylase / 1-Undecene biosynthesis / aliphatic medium-chain 1-alkene biosynthesis / metalloenzyme | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Li, X. / Cate, J.D.H. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Microbial biosynthesis of medium-chain 1-alkenes by a nonheme iron oxidase. Authors: Rui, Z. / Li, X. / Zhu, X. / Liu, J. / Domigan, B. / Barr, I. / Cate, J.H. / Zhang, 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 | ![]() | 250.2 KB | Display | ![]() |
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PDB format | ![]() | 200.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 469.4 KB | Display | ![]() |
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Full document | ![]() | 475.6 KB | Display | |
Data in XML | ![]() | 27.1 KB | Display | |
Data in CIF | ![]() | 40.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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 on special symmetry positions |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: _ / Ens-ID: 1 / Beg auth comp-ID: ASP / Beg label comp-ID: ASP / End auth comp-ID: LEU / End label comp-ID: LEU / Refine code: _ / Auth seq-ID: 3 - 256 / Label seq-ID: 5 - 258
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 30351.678 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 5 types, 577 molecules ![](data/chem/img/FE.gif)
![](data/chem/img/HXD.gif)
![](data/chem/img/PER.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/HXD.gif)
![](data/chem/img/PER.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | #4: Chemical | #5: Chemical | ChemComp-SO4 / #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.96 Å3/Da / Density % sol: 58.51 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop Details: 0.1 M MES, 1.8 M ammonium sulfate, 0.2 mM iron(II) ammonium sulfate, pH 6.5-7.0 PH range: 6.5-7.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Sep 20, 2013 |
Radiation | Monochromator: double flat crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.11587 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→65.75 Å / Num. obs: 75678 / % possible obs: 95.8 % / Redundancy: 8.4 % / Net I/σ(I): 14.5 |
Reflection shell | Resolution: 1.7→1.73 Å / Redundancy: 5.1 % / Mean I/σ(I) obs: 1.1 / % possible all: 70.9 |
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Processing
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Refinement | Resolution: 1.7→65.75 Å / Cor.coef. Fo:Fc: 0.976 / Cor.coef. Fo:Fc free: 0.957 / Cross valid method: THROUGHOUT / ESU R: 0.099 / ESU R Free: 0.084 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 30.927 Å2
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Refinement step | Cycle: LAST / Resolution: 1.7→65.75 Å
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Refine LS restraints |
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