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Yorodumi- PDB-7wik: Crystal structure of oligoribonuclease of Mycobacterium smegmatis... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7wik | ||||||
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Title | Crystal structure of oligoribonuclease of Mycobacterium smegmatis mc2 155 | ||||||
Components | OligoribonucleaseOligonucleotidase | ||||||
Keywords | HYDROLASE / Oligoribonuclease / ORN / RNase H-like fold / DnaQ like exoribonuclease | ||||||
Function / homology | Function and homology information 3'-5'-RNA exonuclease activity / Hydrolases; Acting on ester bonds / nucleic acid binding / cytoplasm Similarity search - Function | ||||||
Biological species | Mycolicibacterium smegmatis MC2 155 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.87 Å | ||||||
Authors | Badhwar, P. / Taneja, B. | ||||||
Funding support | 1items
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Citation | Journal: J.Biol.Chem. / Year: 2022 Title: Three-dimensional structure of a mycobacterial oligoribonuclease reveals a unique C-terminal tail that stabilizes the homodimer. Authors: Badhwar, P. / Khan, S.H. / Taneja, B. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7wik.cif.gz | 190.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7wik.ent.gz | 149.8 KB | Display | PDB format |
PDBx/mmJSON format | 7wik.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wi/7wik ftp://data.pdbj.org/pub/pdb/validation_reports/wi/7wik | HTTPS FTP |
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-Related structure data
Related structure data | 7vh4C 2igiS 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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2 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 0 / Beg auth comp-ID: VAL / Beg label comp-ID: VAL / End auth comp-ID: LEU / End label comp-ID: LEU / Refine code: 0 / Auth seq-ID: 1 - 196 / Label seq-ID: 2 - 197
NCS ensembles :
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-Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 23257.289 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycolicibacterium smegmatis MC2 155 (bacteria) Gene: orn / Plasmid: pET28-His10-Smt3 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: A0R1E6, EC: 3.1.13.3 |
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-Non-polymers , 7 types, 676 molecules
#2: Chemical | ChemComp-K / #3: Chemical | ChemComp-ACT / #4: Chemical | ChemComp-SO4 / #5: Chemical | ChemComp-GOL / #6: Chemical | ChemComp-MG / | #7: Chemical | ChemComp-PEG / | #8: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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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: 2.32 Å3/Da / Density % sol: 46.97 % / Description: thick, long rods |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.4 Details: 0.1M Tris-HCl, pH8.4, 0.2M Lithium sulphate, 30% v/v PEG-4000 PH range: 8-9 |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 0.96863 Å |
Detector | Type: PSI JUNGFRAU 4M / Detector: PIXEL / Date: May 15, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.96863 Å / Relative weight: 1 |
Reflection | Resolution: 1.87→81.07 Å / Num. obs: 71290 / % possible obs: 99.5 % / Redundancy: 4.6 % / CC1/2: 0.999 / Rmerge(I) obs: 0.056 / Rpim(I) all: 0.032 / Rrim(I) all: 0.07 / Net I/σ(I): 13.5 |
Reflection shell | Resolution: 1.874→1.906 Å / Redundancy: 4.3 % / Rmerge(I) obs: 0.694 / Mean I/σ(I) obs: 2 / Num. unique obs: 3483 / CC1/2: 0.803 / Rpim(I) all: 0.377 / Rrim(I) all: 0.794 / % possible all: 99.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2igi Resolution: 1.87→81.07 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.952 / SU B: 4.776 / SU ML: 0.128 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.146 / ESU R Free: 0.138 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 97.89 Å2 / Biso mean: 33.637 Å2 / Biso min: 16.31 Å2
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Refinement step | Cycle: final / Resolution: 1.87→81.07 Å
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Refine LS restraints |
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Refine LS restraints NCS | Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05
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LS refinement shell | Resolution: 1.873→1.922 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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