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- PDB-6uuv: Crystal structure of a high molecular weight 3-oxoacyl-ACP reduct... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6uuv | ||||||
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Title | Crystal structure of a high molecular weight 3-oxoacyl-ACP reductase (FabG) from Acinetobacter baumannii crystal form 1 | ||||||
![]() | 3-ketoacyl-ACP reductase | ||||||
![]() | OXIDOREDUCTASE / FabG / reductase / HMw / 3-oxoacyl-ACP | ||||||
Function / homology | Short-chain dehydrogenase/reductase, conserved site / Short-chain dehydrogenases/reductases family signature. / Enoyl-(Acyl carrier protein) reductase / Short-chain dehydrogenase/reductase SDR / oxidoreductase activity / NAD(P)-binding domain superfamily / 3-hydroxyacyl-CoA dehydrogenase![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Cross, E.M. / Forwood, J.K. | ||||||
![]() | ![]() 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: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 202.2 KB | Display | ![]() |
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PDB format | ![]() | 135.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 253.2 KB | Display | ![]() |
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Full document | ![]() | 253.2 KB | Display | |
Data in XML | ![]() | 931 B | Display | |
Data in CIF | ![]() | 10.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6nrpC ![]() 6udsC ![]() 6uutC ![]() 6wprC ![]() 5vp5S 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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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.) ![]() Gene: fabG_6, fabG, fabG_28, fabG_3, AB719_16670, CEJ63_16090, EJB02_12225, SAMEA104305229_01073, SAMEA104305325_01586, SAMEA104305337_09390 Production host: ![]() ![]() References: UniProt: A0A219C8F5, 3-oxoacyl-[acyl-carrier-protein] reductase #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.01 Å3/Da / Density % sol: 38.82 % |
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Crystal grow | Temperature: 296.15 K / Method: vapor diffusion, hanging drop / Details: 0.1M HEPES pH7.5, 10% v/v 2-Propanol, 20% PEG 4000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
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: 0.95366 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→48.71 Å / Num. obs: 71417 / % possible obs: 96.6 % / Redundancy: 3.4 % / Biso Wilson estimate: 24.43 Å2 / CC1/2: 0.996 / Rmerge(I) obs: 0.069 / Rpim(I) all: 0.044 / Rrim(I) all: 0.082 / Net I/σ(I): 9.5 |
Reflection shell | Resolution: 1.8→1.84 Å / Rmerge(I) obs: 0.399 / Mean I/σ(I) obs: 2.7 / Num. unique obs: 4191 / CC1/2: 0.809 / Rpim(I) all: 0.273 / Rrim(I) all: 0.487 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5VP5 Resolution: 1.8→48.71 Å / SU ML: 0.2174 / Cross valid method: FREE R-VALUE / σ(F): 1.95 / Phase error: 22.3776
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 27.19 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→48.71 Å
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Refine LS restraints |
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LS refinement shell |
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