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Yorodumi- PDB-6uut: Crystal structure of a high molecular weight 3-oxoacyl-ACP reduct... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6uut | ||||||
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Title | Crystal structure of a high molecular weight 3-oxoacyl-ACP reductase (FabG) from Acinetobacter baumannii crystal form 2 | ||||||
Components | 3-ketoacyl-ACP reductase | ||||||
Keywords | OXIDOREDUCTASE / FabG / Reductase / HMw / 3-oxoacyl-ACP | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Acinetobacter baumannii (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.65 Å | ||||||
Authors | Cross, E.M. / Forwood, J.K. | ||||||
Citation | Journal: Sci Rep / Year: 2021 Title: Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases. Authors: Cross, E.M. / Adams, F.G. / Waters, J.K. / Aragao, D. / Eijkelkamp, B.A. / Forwood, J.K. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6uut.cif.gz | 211.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6uut.ent.gz | 142.4 KB | Display | PDB format |
PDBx/mmJSON format | 6uut.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uu/6uut ftp://data.pdbj.org/pub/pdb/validation_reports/uu/6uut | HTTPS FTP |
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-Related structure data
Related structure data | 6nrpC 6udsC 6uuvC 6wprC 5vp5S S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 51175.047 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Acinetobacter baumannii (bacteria) Gene: fabG_6, fabG, fabG_28, fabG_3, AB719_16670, CEJ63_16090, EJB02_12225, SAMEA104305229_01073, SAMEA104305325_01586, SAMEA104305337_09390 Production host: Escherichia coli (E. coli) References: UniProt: A0A219C8F5, 3-oxoacyl-[acyl-carrier-protein] reductase #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.91 Å3/Da / Density % sol: 35.58 % |
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Crystal grow | Temperature: 296.15 K / Method: vapor diffusion, hanging drop / Details: 0.2M sodium malonate pH4.0 + 20% PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.95373 Å |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Feb 7, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.95373 Å / Relative weight: 1 |
Reflection | Resolution: 1.65→80.32 Å / Num. obs: 92484 / % possible obs: 99.8 % / Redundancy: 3.2 % / Biso Wilson estimate: 15.14 Å2 / CC1/2: 0.995 / Rmerge(I) obs: 0.077 / Rpim(I) all: 0.05 / Rrim(I) all: 0.093 / Net I/σ(I): 8.2 |
Reflection shell | Resolution: 1.65→1.68 Å / Rmerge(I) obs: 0.296 / Mean I/σ(I) obs: 3.6 / Num. unique obs: 4543 / CC1/2: 0.872 / Rpim(I) all: 0.191 / Rrim(I) all: 0.354 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5VP5 Resolution: 1.65→80.32 Å / SU ML: 0.1886 / Cross valid method: FREE R-VALUE / σ(F): 1.97 / Phase error: 22.4324
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 17.48 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.65→80.32 Å
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Refine LS restraints |
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LS refinement shell |
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