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- PDB-8gr2: Crystal structure of the GDSL-family esterase CJ0610C from Campyl... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8gr2 | ||||||
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Title | Crystal structure of the GDSL-family esterase CJ0610C from Campylobacter jejuni | ||||||
![]() | DUF459 domain-containing protein | ||||||
![]() | HYDROLASE / GDSL-family esterase | ||||||
Function / homology | SGNH hydrolase superfamily / hydrolase activity, acting on ester bonds / DUF459 domain-containing protein![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Ki, D.U. / Song, W.S. / Yoon, S.I. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structural and biochemical analysis of the GDSL-family esterase CJ0610C from Campylobacter jejuni. Authors: Ki, D.U. / Song, W.S. / Yoon, S.I. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 118.7 KB | Display | ![]() |
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PDB format | ![]() | 75.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 431.7 KB | Display | ![]() |
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Full document | ![]() | 432.4 KB | Display | |
Data in XML | ![]() | 10.8 KB | Display | |
Data in CIF | ![]() | 14.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | Similarity search - Function & homology ![]() |
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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: 26208.930 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||||
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#2: Chemical | #3: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.29 Å3/Da / Density % sol: 46.39 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 7 / Details: PEG 3350, Bis-Tris, ammonium sulfate |
-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: Jun 11, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9793 Å / Relative weight: 1 |
Reflection | Resolution: 1.65→30 Å / Num. obs: 28325 / % possible obs: 99.7 % / Redundancy: 5.6 % / Biso Wilson estimate: 20.64 Å2 / CC1/2: 0.996 / Net I/σ(I): 32.5 |
Reflection shell | Resolution: 1.65→1.68 Å / Redundancy: 5.5 % / Mean I/σ(I) obs: 2.4 / Num. unique obs: 1438 / CC1/2: 0.734 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: Alphafold2 model Resolution: 1.65→27.8 Å / SU ML: 0.1961 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 20.8256 Stereochemistry target values: GeoStd + Monomer Library + 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: 26 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.65→27.8 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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