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- PDB-6n9i: Structure of the Quorum Quenching lactonase from Parageobacillus ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6n9i | ||||||
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Title | Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus - free | ||||||
![]() | Putative hydrolase | ||||||
![]() | HYDROLASE / lactonase / quorum sensing / thermophile / MLL / quorum quenching / AHL | ||||||
Function / homology | ![]() quorum-quenching N-acyl-homoserine lactonase / hydrolase activity / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Bergonzi, C. / Schwab, M. / Elias, M. | ||||||
![]() | ![]() Title: The Structural Determinants Accounting for the Broad Substrate Specificity of the Quorum Quenching Lactonase GcL. Authors: Bergonzi, C. / Schwab, M. / Naik, T. / Elias, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 413.8 KB | Display | ![]() |
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PDB format | ![]() | 336.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 517.3 KB | Display | ![]() |
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Full document | ![]() | 538.2 KB | Display | |
Data in XML | ![]() | 43.4 KB | Display | |
Data in CIF | ![]() | 61.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6n9qC ![]() 6n9rC ![]() 2r2dS 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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2 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
-Protein , 1 types, 3 molecules ABC
#1: Protein | Mass: 34378.914 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: GCA01S_030_00190 / Production host: ![]() ![]() |
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-Non-polymers , 8 types, 705 molecules ![](data/chem/img/CO.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/FE.gif)
![](data/chem/img/PGE.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/FE.gif)
![](data/chem/img/PGE.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | ChemComp-SO4 / #4: Chemical | ChemComp-ACT / #5: Chemical | ChemComp-EDO / #6: Chemical | #7: Chemical | ChemComp-PGE / #8: Chemical | #9: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.88 Å3/Da / Density % sol: 57.23 % |
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, hanging drop Details: Concentrated protein samples 10mg.mL-1, ammonium sulfate 1 to 2.25M, 0.1M sodium acetate. Diffraction quality crystals appeared after 1 d at 292 K PH range: 4.0 to 5.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Oct 1, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.03323 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→63.93 Å / Num. obs: 602221 / % possible obs: 99.6 % / Redundancy: 4.17 % / CC1/2: 0.1 / Rrim(I) all: 0.033 / Net I/σ(I): 26.5 |
Reflection shell | Resolution: 1.6→1.7 Å / Redundancy: 4.15 % / Mean I/σ(I) obs: 3.1 / Num. unique obs: 23974 / CC1/2: 0.994 / Rrim(I) all: 0.645 / % possible all: 99.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2r2d Resolution: 1.6→63.93 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.964 / SU B: 4.1 / SU ML: 0.06 / Cross valid method: THROUGHOUT / ESU R: 0.08 / ESU R Free: 0.074 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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 mean: 33.224 Å2
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Refinement step | Cycle: 1 / Resolution: 1.6→63.93 Å
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Refine LS restraints |
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