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Yorodumi- PDB-5ocr: Crystal structure of the kappa-carrageenase zobellia_236 from Zob... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5ocr | |||||||||
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Title | Crystal structure of the kappa-carrageenase zobellia_236 from Zobellia galactanivorans | |||||||||
Components | Kappa-carrageenase | |||||||||
Keywords | HYDROLASE / Glycoside hydrolase 16 / kappa-carrageenase / beta-jellyroll / marine polysaccharidase | |||||||||
Function / homology | Function and homology information kappa-carrageenase / kappa-carrageenase activity / carbohydrate metabolic process Similarity search - Function | |||||||||
Biological species | Zobellia galactanivorans (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.66 Å | |||||||||
Authors | Czjzek, M. / Matard-Mann, M. / Michel, G. / Jeudy, A. / Larocque, R. | |||||||||
Funding support | France, 2items
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Citation | Journal: J. Biol. Chem. / Year: 2017 Title: Structural insights into marine carbohydrate degradation by family GH16 kappa-carrageenases. Authors: Matard-Mann, M. / Bernard, T. / Leroux, C. / Barbeyron, T. / Larocque, R. / Prechoux, A. / Jeudy, A. / Jam, M. / Nyvall Collen, P. / Michel, G. / Czjzek, M. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5ocr.cif.gz | 490.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5ocr.ent.gz | 403 KB | Display | PDB format |
PDBx/mmJSON format | 5ocr.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/oc/5ocr ftp://data.pdbj.org/pub/pdb/validation_reports/oc/5ocr | HTTPS FTP |
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-Related structure data
Related structure data | 5ocqC 1dypS 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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3 |
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4 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: GLN / Beg label comp-ID: GLN / End auth comp-ID: SER / End label comp-ID: SER / Refine code: 5 / Auth seq-ID: 30 - 307 / Label seq-ID: 9 - 286
NCS oper:
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-Components
#1: Protein | Mass: 33510.078 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: The discrepancies to the coordinate file are due to sequencing errors of the Uniprot entry (the sequence was deposited in early sequencing days). The GenBank sequence CAZ94309.1 is part of a ...Details: The discrepancies to the coordinate file are due to sequencing errors of the Uniprot entry (the sequence was deposited in early sequencing days). The GenBank sequence CAZ94309.1 is part of a more recent genome sequencing project - and that has the exact same sequence as our crystal structure Source: (gene. exp.) Zobellia galactanivorans (bacteria) / Gene: cgkA / Production host: Escherichia coli BL21(DE3) (bacteria) References: UniProt: O84907, UniProt: G0L921*PLUS, kappa-carrageenase #2: Chemical | ChemComp-GOL / #3: Chemical | ChemComp-MG / #4: 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: 2.22 Å3/Da / Density % sol: 44.7 % / Description: rather thin, long and rectangular plates |
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Crystal grow | Temperature: 290 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 27-29 % PEG 3350, 100 mM MES buffer at pH 6.5, 0.3 M NaNO3 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 0.97 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 3, 2016 |
Radiation | Monochromator: optical mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97 Å / Relative weight: 1 |
Reflection | Resolution: 1.61→81.7 Å / Num. obs: 132172 / % possible obs: 93.9 % / Redundancy: 1.98 % / CC1/2: 0.999 / Rmerge(I) obs: 0.052 / Net I/av σ(I): 11.97 / Net I/σ(I): 11.97 |
Reflection shell | Resolution: 1.61→1.7 Å / Redundancy: 1.7 % / Rmerge(I) obs: 0.52 / Mean I/σ(I) obs: 1.64 / Num. unique obs: 20564 / CC1/2: 0.771 / % possible all: 90.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1DYP Resolution: 1.66→81.74 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.962 / SU B: 4.274 / SU ML: 0.075 / Cross valid method: THROUGHOUT / ESU R: 0.11 / ESU R Free: 0.107 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 29.029 Å2
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Refinement step | Cycle: 1 / Resolution: 1.66→81.74 Å
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Refine LS restraints |
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