+Open data
-Basic information
Entry | Database: PDB / ID: 3vvt | ||||||
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Title | Crystal structure of reconstructed archaeal ancestral NDK, Arc1 | ||||||
Components | Nucleoside diphosphate kinase | ||||||
Keywords | TRANSFERASE / NDK / ARCHAEA / ANCESTOR | ||||||
Function / homology | Nucleoside diphosphate kinase-like domain / Alpha-Beta Plaits / 2-Layer Sandwich / Alpha Beta Function and homology information | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å | ||||||
Authors | Nemoto, N. / Miyazono, K. / Kimura, M. / Yokobori, S. / Akanuma, S. / Tanokura, M. / Yamagishi, A. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2013 Title: Experimental evidence for the thermophilicity of ancestral life Authors: Akanuma, S. / Nakajima, Y. / Yokobori, S. / Kimura, M. / Nemoto, N. / Mase, T. / Miyazono, K. / Tanokura, M. / Yamagishi, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3vvt.cif.gz | 119.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3vvt.ent.gz | 95.4 KB | Display | PDB format |
PDBx/mmJSON format | 3vvt.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3vvt_validation.pdf.gz | 433.9 KB | Display | wwPDB validaton report |
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Full document | 3vvt_full_validation.pdf.gz | 435.7 KB | Display | |
Data in XML | 3vvt_validation.xml.gz | 12.1 KB | Display | |
Data in CIF | 3vvt_validation.cif.gz | 16.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/vv/3vvt ftp://data.pdbj.org/pub/pdb/validation_reports/vv/3vvt | HTTPS FTP |
-Related structure data
Related structure data | 3vvuC 2cwkS 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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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 15649.168 Da / Num. of mol.: 2 / Source method: obtained synthetically Details: There is no natural source since this sequence is estimated as archaeal ancestral NDK sequence by phylogenetic analysis. Host is Escherichia coli BL21(DE3) and plasmid is pET21c References: nucleoside-diphosphate kinase #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: 3.58 Å3/Da / Density % sol: 65.67 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 0.1M HEPES, 0.8M POTTASIUM SODIUM TARTRATE TETRAHYDRATE, 3% 2-METHYL-2,4,-PENTADIOL, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 73 K |
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Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: BL-5A / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jan 17, 2007 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→20 Å / Num. obs: 17715 / % possible obs: 99.8 % / Redundancy: 10.2 % / Rmerge(I) obs: 0.071 / Net I/σ(I): 38.379 |
Reflection shell | Resolution: 2.4→2.49 Å / Redundancy: 5.8 % / Rmerge(I) obs: 0.539 / % possible all: 98.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2cwk Resolution: 2.4→19.52 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.943 / SU B: 12.344 / SU ML: 0.132 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.242 / ESU R Free: 0.198 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: U VALUES: RESIDUAL ONLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 49.28 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.4→19.52 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.4→2.46 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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