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Yorodumi- PDB-6x41: Crystal structure of inactive enzymatic binary toxin component fr... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6x41 | ||||||
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Title | Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile | ||||||
Components | CdtA | ||||||
Keywords | TOXIN / RIBOSYLTRANSFERASE / CDTA | ||||||
Function / homology | Binary exotoxin A, clostridial type / ADP ribosyltransferase / ADP-ribosyltransferase exoenzyme / Toxin-related mono-ADP-ribosyltransferase (TR mART) core domain profile. / extracellular region / CdtA Function and homology information | ||||||
Biological species | Clostridioides difficile (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.36 Å | ||||||
Authors | Pozharski, E. | ||||||
Citation | Journal: To Be Published Title: Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile Authors: Pozharski, E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6x41.cif.gz | 181.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6x41.ent.gz | 142.9 KB | Display | PDB format |
PDBx/mmJSON format | 6x41.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/x4/6x41 ftp://data.pdbj.org/pub/pdb/validation_reports/x4/6x41 | HTTPS FTP |
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-Related structure data
Related structure data | 6x6wC 2wn5S 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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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 49536.766 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Clostridioides difficile (bacteria) / Gene: cdtA / Production host: Escherichia coli (E. coli) / References: UniProt: F5B5W8 #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: 2.94 Å3/Da / Density % sol: 58.21 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop Details: 0.2M Li2SO4, 1.2M NaH2PO4, 0.8M K2HPO4, 0.1M Glycine pH 10.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL7-1 / Wavelength: 0.9795 Å |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jan 24, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 2.36→39.36 Å / Num. obs: 49282 / % possible obs: 99.8 % / Redundancy: 5.6 % / CC1/2: 0.991 / Net I/σ(I): 4.6 |
Reflection shell | Resolution: 2.36→2.44 Å / Redundancy: 5.7 % / Num. unique obs: 4452 / CC1/2: 0.362 / % possible all: 99.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2WN5 Resolution: 2.36→33.66 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.902 / SU R Cruickshank DPI: 0.276 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.279 / SU Rfree Blow DPI: 0.219 / SU Rfree Cruickshank DPI: 0.22
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Displacement parameters | Biso max: 102.71 Å2 / Biso mean: 55.75 Å2 / Biso min: 29.23 Å2
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Refine analyze | Luzzati coordinate error obs: 0.35 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.36→33.66 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.36→2.38 Å / Rfactor Rfree error: 0 / Total num. of bins used: 51
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