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Yorodumi- PDB-5swm: BACILLUS HALODURANS RNASE H MUTANT D132N IN COMPLEX WITH 12-MER F... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5swm | ||||||
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Title | BACILLUS HALODURANS RNASE H MUTANT D132N IN COMPLEX WITH 12-MER FRNA/DNA HYBRID | ||||||
Components |
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Keywords | HYDROLASE/RNA/DNA / RNASE H / RNA/DNA HYBRID / HYDROLASE-RNA-DNA COMPLEX | ||||||
Function / homology | Function and homology information ribonuclease H / RNA-DNA hybrid ribonuclease activity / nucleic acid binding / metal ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | Bacillus halodurans (bacteria) synthetic construct (others) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.5 Å | ||||||
Authors | Pallan, P.S. / Egli, M. | ||||||
Funding support | United States, 1items
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Citation | Journal: Biochemistry / Year: 2016 Title: Limits of RNA 2'-OH Mimicry by Fluorine: Crystal Structure of Bacillus halodurans RNase H Bound to a 2'-FRNA:DNA Hybrid. Authors: Pallan, P.S. / Prakash, T.P. / de Leon, A.R. / Egli, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5swm.cif.gz | 195.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5swm.ent.gz | 159 KB | Display | PDB format |
PDBx/mmJSON format | 5swm.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/sw/5swm ftp://data.pdbj.org/pub/pdb/validation_reports/sw/5swm | HTTPS FTP |
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-Related structure data
Related structure data | 1zbiS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
-Protein / RNA chain / DNA chain , 3 types, 4 molecules ABCD
#1: Protein | Mass: 16329.478 Da / Num. of mol.: 2 / Mutation: D132N Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus halodurans (bacteria) / Gene: rnhA / Plasmid: PET15B / Production host: BACILLUS HALODURANS (bacteria) / Strain (production host): BL21 PLYSS / References: UniProt: Q9KEI9, ribonuclease H #2: RNA chain | | Mass: 3796.188 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) #3: DNA chain | | Mass: 3767.298 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
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-Non-polymers , 5 types, 279 molecules
#4: Chemical | ChemComp-NA / |
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#5: Chemical | ChemComp-CL / |
#6: Chemical | ChemComp-PEG / |
#7: Chemical | ChemComp-GOL / |
#8: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.27 Å3/Da / Density % sol: 45.84 % / Description: Crystals with medium thickness |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / Details: 0.4 M ammonium phosphate monobasic |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-D / Wavelength: 0.91836 Å |
Detector | Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Mar 19, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.91836 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→26.6 Å / Num. obs: 55661 / % possible obs: 95.7 % / Observed criterion σ(I): 0 / Redundancy: 6.1 % / Rmerge(I) obs: 0.067 / Net I/σ(I): 46 |
Reflection shell | Resolution: 1.5→1.55 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.13 / Mean I/σ(I) obs: 10.6 / % possible all: 79.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ID: 1ZBI Resolution: 1.5→26.6 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.943 / SU B: 2.194 / SU ML: 0.041 / Cross valid method: THROUGHOUT / ESU R: 0.08 / ESU R Free: 0.078
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 17.1 Å2
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Refinement step | Cycle: LAST / Resolution: 1.5→26.6 Å
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Refine LS restraints |
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