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Yorodumi- PDB-6rjo: Complex structure of virulence factor SghA with its substrate ana... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6rjo | |||||||||
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Title | Complex structure of virulence factor SghA with its substrate analog salicin | |||||||||
Components | Beta-glucosidase | |||||||||
Keywords | HYDROLASE / Chemical signaling / Sucrose / Agrobacterium / Host-pathogen interaction / Glucosidase | |||||||||
Function / homology | Function and homology information scopolin beta-glucosidase activity / beta-glucosidase / beta-glucosidase activity / cellulose catabolic process / cytosol Similarity search - Function | |||||||||
Biological species | Agrobacterium tumefaciens A6 (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.804 Å | |||||||||
Authors | Ye, F.Z. / Wang, C. / Chang, C.Q. / Zhang, L.H. / Gao, Y.G. | |||||||||
Funding support | Singapore, China, 2items
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Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2019 Title: Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals. Authors: Wang, C. / Ye, F. / Chang, C. / Liu, X. / Wang, J. / Wang, J. / Yan, X.F. / Fu, Q. / Zhou, J. / Chen, S. / Gao, Y.G. / Zhang, L.H. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6rjo.cif.gz | 212.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6rjo.ent.gz | 165.8 KB | Display | PDB format |
PDBx/mmJSON format | 6rjo.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6rjo_validation.pdf.gz | 1.4 MB | Display | wwPDB validaton report |
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Full document | 6rjo_full_validation.pdf.gz | 1.4 MB | Display | |
Data in XML | 6rjo_validation.xml.gz | 42.2 KB | Display | |
Data in CIF | 6rjo_validation.cif.gz | 64.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/rj/6rjo ftp://data.pdbj.org/pub/pdb/validation_reports/rj/6rjo | HTTPS FTP |
-Related structure data
Related structure data | 6rjkC 6rjmC 6rk2C 6sjkS 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: 54831.547 Da / Num. of mol.: 2 / Mutation: E179S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Agrobacterium tumefaciens A6 (bacteria) Gene: sghA / Plasmid: pET14b-SghA-E179S / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A2I4PGZ0, beta-glucosidase #2: Sugar | #3: 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: 2.35 Å3/Da / Density % sol: 47.55 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: 20% (w/v) PEG 3350 and 0.4 M ammonium formate |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Feb 26, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→50 Å / Num. obs: 86072 / % possible obs: 97.3 % / Redundancy: 3 % / Biso Wilson estimate: 12.1 Å2 / CC1/2: 0.997 / Rpim(I) all: 0.04 / Rrim(I) all: 0.09 / Rsym value: 0.07 / Net I/σ(I): 12.1 |
Reflection shell | Resolution: 1.8→1.91 Å / Redundancy: 2.9 % / Num. unique obs: 4431 / Rpim(I) all: 0.5 / Rrim(I) all: 0.9 / Rsym value: 0.6 / % possible all: 96.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6SJK Resolution: 1.804→48.856 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 2 / Phase error: 21.83
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.804→48.856 Å
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Refine LS restraints |
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LS refinement shell |
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