+Open data
-Basic information
Entry | Database: PDB / ID: 7krk | ||||||
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Title | Putative FabG from Acinetobacter baumannii | ||||||
Components | 3-oxoacyl-[acyl-carrier-protein] reductase | ||||||
Keywords | OXIDOREDUCTASE / FabG / Acinetobacter baumannii / enzyme | ||||||
Function / homology | Function and homology information glucose 1-dehydrogenase [NAD(P)+] / glucose 1-dehydrogenase [NAD(P)] activity / 3-oxoacyl-[acyl-carrier-protein] reductase / 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity Similarity search - Function | ||||||
Biological species | Acinetobacter baumannii (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.4 Å | ||||||
Authors | Shaw, K.I. / Smith, K.M. / Cross, E.M. | ||||||
Citation | Journal: To Be Published Title: Putative FabG from Acinetobacter baumannii Authors: 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 | 7krk.cif.gz | 381.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7krk.ent.gz | 290.8 KB | Display | PDB format |
PDBx/mmJSON format | 7krk.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/kr/7krk ftp://data.pdbj.org/pub/pdb/validation_reports/kr/7krk | HTTPS FTP |
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-Related structure data
Related structure data | 1i01S S: Starting model for refinement |
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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: 25861.596 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Acinetobacter baumannii (bacteria) Gene: fabG_1, ABC003_00909, ABUW_2930, DLI69_07500, EA686_12865, FDO31_05475, GNY86_08660 Production host: Escherichia coli (E. coli) References: UniProt: A0A077GFB1, glucose 1-dehydrogenase [NAD(P)+] #2: Chemical | #3: Water | ChemComp-HOH / | Has ligand of interest | N | |
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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: 2.38 Å3/Da / Density % sol: 48.43 % |
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Crystal grow | Temperature: 296 K / Method: vapor diffusion, hanging drop / pH: 6.6 Details: 0.2 M ammonium tartrate dibasic, pH 6.6, 20% v/v PEG3350 |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 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: 0.9537 Å / Relative weight: 1 |
Reflection | Resolution: 1.4→29.82 Å / Num. obs: 188133 / % possible obs: 99.9 % / Redundancy: 9.9 % / Biso Wilson estimate: 11.82 Å2 / CC1/2: 0.998 / Net I/σ(I): 13.5 |
Reflection shell | Resolution: 1.4→1.42 Å / Num. unique obs: 9178 / CC1/2: 0.761 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 1I01 Resolution: 1.4→29.82 Å / SU ML: 0.1048 / Cross valid method: FREE R-VALUE / σ(F): 2.01 / Phase error: 13.9256 / Stereochemistry target values: CDL v1.2
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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 mean: 16.17 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.4→29.82 Å
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Refine LS restraints |
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LS refinement shell |
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