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- PDB-7ayg: oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7ayg | |||||||||
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Title | oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP | |||||||||
![]() | Putative oxalyl-CoA decarboxylase (Oxc, yfdU) | |||||||||
![]() | LYASE / Decarboxylase / Carboxylase / Ligase / Formyl-CoA / Oxalyl-CoA / Mandelyl-CoA | |||||||||
Function / homology | ![]() oxalyl-CoA decarboxylase / oxalyl-CoA decarboxylase activity / oxalate catabolic process / thiamine pyrophosphate binding / magnesium ion binding Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Pfister, P. / Burgener, S. / Nattermann, M. / Zarzycki, J. / Erb, T.J. | |||||||||
Funding support | ![]() ![]()
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![]() | ![]() Title: Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism. Authors: Nattermann, M. / Burgener, S. / Pfister, P. / Chou, A. / Schulz, L. / Lee, S.H. / Paczia, N. / Zarzycki, J. / Gonzalez, R. / Erb, T.J. #1: ![]() Title: Towards automated crystallographic structure refinement with phenix.refine. Authors: Afonine, P.V. / Grosse-Kunstleve, R.W. / Echols, N. / Headd, J.J. / Moriarty, N.W. / Mustyakimov, M. / Terwilliger, T.C. / Urzhumtsev, A. / Zwart, P.H. / Adams, P.D. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 1.7 MB | Display | ![]() |
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PDB format | ![]() | 1.4 MB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 5.6 MB | Display | ![]() |
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Full document | ![]() | 5.6 MB | Display | |
Data in XML | ![]() | 186.2 KB | Display | |
Data in CIF | ![]() | 272.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7b2eC ![]() 2ji6S S: Starting model for refinement C: citing same article ( |
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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: 61768.895 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: MexAM1_META1p0990 / Production host: ![]() ![]() #2: Chemical | ChemComp-TPP / #3: Chemical | ChemComp-ADP / #4: Chemical | ChemComp-MG / #5: Water | ChemComp-HOH / | Has ligand of interest | N | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.18 Å3/Da / Density % sol: 61.32 % |
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Crystal grow | Temperature: 288.15 K / Method: vapor diffusion, sitting drop / pH: 7.8 Details: 45 % w/v Pentaerythritol ethoxylate (3/4 EO/OH), 100 mM Sodium acetate pH 4.6, 400 mM Potassium chloride |
-Data collection
Diffraction | Mean temperature: 100 K / Ambient temp details: cryo stream / Serial crystal experiment: N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: ![]() ![]() ![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jun 12, 2018 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.97242 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 1.9→39.3 Å / Num. obs: 455609 / % possible obs: 99 % / Redundancy: 5.7 % / Rmerge(I) obs: 0.107 / Rpim(I) all: 0.049 / Rrim(I) all: 0.118 / Rsym value: 0.107 / Net I/av σ(I): 4.7 / Net I/σ(I): 8.8 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2ji6 Resolution: 1.9→39.3 Å / SU ML: 0.21 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 29.06 / 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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 104.09 Å2 / Biso mean: 27.8543 Å2 / Biso min: 17.76 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.9→39.3 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14
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Refinement TLS params. | Method: refined / Origin x: -5.6047 Å / Origin y: 90.8763 Å / Origin z: 0.0076 Å
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Refinement TLS group |
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