+Open data
-Basic information
Entry | Database: PDB / ID: 3wvi | ||||||
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Title | Time-Resolved Crystal Structure of HindIII with 40 sec soaking | ||||||
Components |
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Keywords | HYDROLASE/DNA / FREEZE-TRAP / type IIP restriction endonuclease / endonuclease / hydrolase / nuclease / HYDROLASE-DNA complex | ||||||
Function / homology | Function and homology information type II site-specific deoxyribonuclease / type II site-specific deoxyribonuclease activity / DNA restriction-modification system Similarity search - Function | ||||||
Biological species | Haemophilus influenzae (bacteria) synthetic (others) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.55 Å | ||||||
Authors | Kawamura, T. / Kobayashi, T. / Watanabe, N. | ||||||
Citation | Journal: Acta Crystallogr.,Sect.D / Year: 2015 Title: Analysis of the HindIII-catalyzed reaction by time-resolved crystallography Authors: Kawamura, T. / Kobayashi, T. / Watanabe, N. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3wvi.cif.gz | 310.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3wvi.ent.gz | 245.5 KB | Display | PDB format |
PDBx/mmJSON format | 3wvi.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wv/3wvi ftp://data.pdbj.org/pub/pdb/validation_reports/wv/3wvi | HTTPS FTP |
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-Related structure data
Related structure data | 3wvgC 3wvhC 3wvkC 3wvpC 3a4kS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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2 |
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3 |
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4 |
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Unit cell |
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-Components
#1: Protein | Mass: 34998.172 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Haemophilus influenzae (bacteria) / Strain: Rd KW20 / Gene: hindIIIR, HI_1393 / Plasmid: pET16b / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3)pLysS References: UniProt: P43870, type II site-specific deoxyribonuclease #2: DNA chain | Mass: 3663.392 Da / Num. of mol.: 8 / Source method: obtained synthetically Details: This DNA sequence synthesized chemically contains cognate HindIIIR recognition sequence and elongated scaffolds on both sides Source: (synth.) synthetic (others) #3: Chemical | ChemComp-MN / #4: Chemical | ChemComp-GOL / #5: 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: 2.95 Å3/Da / Density % sol: 58.34 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 10-15% PEG 3350, 300mM NaSCN, 10% v/v Glycerol, 100mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 95 K |
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Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: AR-NE3A / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 270 / Detector: CCD / Date: Nov 8, 2012 |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.55→50 Å / Num. obs: 64086 / % possible obs: 99.71 % / Redundancy: 3.8 % / Biso Wilson estimate: 29.78 Å2 / Rmerge(I) obs: 0.133 / Net I/σ(I): 14.2 |
Reflection shell | Resolution: 2.55→2.59 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.59 / Mean I/σ(I) obs: 2.5 |
-Phasing
Phasing | Method: molecular replacement |
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3A4K Resolution: 2.55→32.23 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.906 / SU B: 8.946 / SU ML: 0.189 / Isotropic thermal model: isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.448 / ESU R Free: 0.271 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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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: 119.25 Å2 / Biso mean: 31.379 Å2 / Biso min: 6.54 Å2
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Refinement step | Cycle: LAST / Resolution: 2.55→32.23 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.545→2.611 Å / Total num. of bins used: 20
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