+Open data
-Basic information
Entry | Database: PDB / ID: 8bn7 | |||||||||
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Title | CjCel5C endo-glucanase | |||||||||
Components | Cellulase, putative, cel5C | |||||||||
Keywords | HYDROLASE / Carbohydrate / inhibitor / covalent / cellulase | |||||||||
Function / homology | organic substance metabolic process / Glycoside hydrolase, family 5 / Cellulase (glycosyl hydrolase family 5) / cellulase / cellulase activity / Glycoside hydrolase superfamily / Cellulase, putative, cel5C Function and homology information | |||||||||
Biological species | Cellvibrio japonicus (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.182 Å | |||||||||
Authors | McGregor, N.G.S. / Davies, G.J. | |||||||||
Funding support | United Kingdom, European Union, 2items
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Citation | Journal: To Be Published Title: Dissection of a Native Bacterial Xyloglucan-degrading System using Activity-Based Probes Authors: McGregor, N.G.S. / de Boer, C. / Foucart, Q. / Beenakker, T. / Willems, L. / Overkleeft, H.S. / Davies, G.J. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8bn7.cif.gz | 396 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8bn7.ent.gz | Display | PDB format | |
PDBx/mmJSON format | 8bn7.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bn/8bn7 ftp://data.pdbj.org/pub/pdb/validation_reports/bn/8bn7 | HTTPS FTP |
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-Related structure data
Related structure data | 8bqaC 8bqbC 8bqcC 4htyS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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3 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: End auth comp-ID: ASN / End label comp-ID: ASN
NCS ensembles :
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-Components
#1: Protein | Mass: 40201.941 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Cellvibrio japonicus (bacteria) / Strain: Ueda107 / Gene: cel5C, CJA_3369 / Production host: Escherichia coli B (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: B3PF55, cellulase #2: 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: 2.65 Å3/Da / Density % sol: 53.62 % / Description: Plate clusters |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: PS: 12 mg/mL in 20 mM MOPS 7.5, 50 mM NaCl 1.5:1 with WS containing 30% MPD, 6% PEG4000, with seeding from higher [PEG] crystals. PH range: 7.5-8 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763 Å |
Detector | Type: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Mar 4, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 2.18→102.57 Å / Num. obs: 60843 / % possible obs: 91 % / Observed criterion σ(I): 1 / Redundancy: 13.5 % / CC1/2: 0.996 / Rmerge(I) obs: 0.264 / Rpim(I) all: 0.074 / Rrim(I) all: 0.274 / Net I/σ(I): 8.3 |
Reflection shell | Resolution: 2.18→2.22 Å / Redundancy: 13.9 % / Rmerge(I) obs: 3.784 / Num. unique obs: 3330 / CC1/2: 0.351 / Rpim(I) all: 1.044 / Rrim(I) all: 3.926 / % possible all: 99.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4HTY Resolution: 2.182→102.57 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.939 / SU B: 7.002 / SU ML: 0.165 / Cross valid method: FREE R-VALUE / ESU R: 0.252 / ESU R Free: 0.197 Details: Hydrogens have been added in their 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 / Solvent model: MASK BULK SOLVENT | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 39.267 Å2
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Refinement step | Cycle: LAST / Resolution: 2.182→102.57 Å
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Refine LS restraints |
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Refine LS restraints NCS |
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LS refinement shell |
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