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Open data
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Basic information
Entry | Database: PDB / ID: 6k8s | ||||||
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Title | Crystal structure of C-domain of baterial malonyl-CoA reductase | ||||||
![]() | NAD-dependent epimerase/dehydratase:Short-chain dehydrogenase/reductase SDR | ||||||
![]() | OXIDOREDUCTASE / SDR domain | ||||||
Function / homology | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor / short chain dehydrogenase / Short-chain dehydrogenase/reductase SDR / NAD(P)-binding domain superfamily / nucleotide binding / NAD-dependent epimerase/dehydratase:Short-chain dehydrogenase/reductase SDR![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Kim, S. / Kim, K.-J. | ||||||
![]() | ![]() Title: Structural insight into bi-functional malonyl-CoA reductase. Authors: Son, H.F. / Kim, S. / Seo, H. / Hong, J. / Lee, D. / Jin, K.S. / Park, S. / Kim, K.J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 292.6 KB | Display | ![]() |
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PDB format | ![]() | 232.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 5 MB | Display | ![]() |
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Full document | ![]() | 5 MB | Display | |
Data in XML | ![]() | 57.5 KB | Display | |
Data in CIF | ![]() | 86.5 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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Unit cell |
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Components
#1: Protein | Mass: 75705.797 Da / Num. of mol.: 2 / Fragment: SDR C domain Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: I603_0811 / Plasmid: pET28a / Production host: ![]() ![]() #2: Chemical | #3: Chemical | ChemComp-SO4 / #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.03 Å3/Da / Density % sol: 59.42 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 8 / Details: Li2SO4, HEPES |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() |
Detector | Type: ADSC QUANTUM 270 / Detector: CCD / Date: Jul 25, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97934 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→50 Å / Num. obs: 156374 / % possible obs: 97.8 % / Redundancy: 5.2 % / CC1/2: 0.996 / Rmerge(I) obs: 0.069 / Rsym value: 0.028 / Net I/σ(I): 31.2 |
Reflection shell | Resolution: 1.8→1.83 Å / Rmerge(I) obs: 0.381 / Num. unique obs: 7610 / CC1/2: 0.736 / Rsym value: 0.187 |
-Phasing
Phasing | Method: ![]() |
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Processing
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Refinement | Method to determine structure: ![]() Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 116.26 Å2 / Biso mean: 26.395 Å2 / Biso min: 8.55 Å2
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Refinement step | Cycle: final / Resolution: 1.8→29.86 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.801→1.848 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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