+Open data
-Basic information
Entry | Database: PDB / ID: 4ail | ||||||
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Title | Crystal Structure of an Evolved Replicating DNA Polymerase | ||||||
Components |
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Keywords | TRANSFERASE / B FAMILY POLYMERASE / PROTEIN DNA COMPLEX | ||||||
Function / homology | Function and homology information nucleotide-excision repair, DNA gap filling / DNA replication proofreading / 3'-5'-DNA exonuclease activity / SOS response / base-excision repair, gap-filling / endonuclease activity / DNA-directed DNA polymerase / DNA-directed DNA polymerase activity / nucleotide binding / DNA binding Similarity search - Function | ||||||
Biological species | PYROCOCCUS FURIOSUS (archaea) SYNTHETIC CONSTRUCT (others) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.9 Å | ||||||
Authors | Wynne, S.A. / Holliger, P. / Leslie, A.G.W. | ||||||
Citation | Journal: Plos One / Year: 2013 Title: Structures of an Apo and a Binary Complex of an Evolved Archeal B Family DNA Polymerase Capable of Synthesising Highly Cy-Dye Labelled DNA. Authors: Wynne, S.A. / Pinheiro, V.B. / Holliger, P. / Leslie, A.G. #1: Journal: J.Am.Chem.Soc. / Year: 2010 Title: Cydna: Synthesis and Replication of Highly Cy-Dye Substituted DNA by an Evolved Polymerase. Authors: Ramsay, N. / Jemth, A. / Brown, A. / Crampton, N. / Dear, P. / Holliger, P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4ail.cif.gz | 176.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4ail.ent.gz | 136.6 KB | Display | PDB format |
PDBx/mmJSON format | 4ail.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4ail_validation.pdf.gz | 449.7 KB | Display | wwPDB validaton report |
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Full document | 4ail_full_validation.pdf.gz | 461.4 KB | Display | |
Data in XML | 4ail_validation.xml.gz | 28.6 KB | Display | |
Data in CIF | 4ail_validation.cif.gz | 39.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ai/4ail ftp://data.pdbj.org/pub/pdb/validation_reports/ai/4ail | HTTPS FTP |
-Related structure data
Related structure data | 4ahcSC 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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1 |
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Unit cell |
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-Components
#1: DNA chain | Mass: 3407.249 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) SYNTHETIC CONSTRUCT (others) |
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#2: DNA chain | Mass: 2361.580 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) SYNTHETIC CONSTRUCT (others) |
#3: Protein | Mass: 90113.172 Da / Num. of mol.: 1 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) PYROCOCCUS FURIOSUS (archaea) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): STRATAGENE CODON PLUS (RIL) / References: UniProt: P61875, DNA-directed DNA polymerase |
#4: Water | ChemComp-HOH / |
Compound details | ENGINEERED RESIDUE IN CHAIN C, VAL 93 TO GLN ENGINEERED RESIDUE IN CHAIN C, ASP 141 TO ALA ...ENGINEERED |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.15 Å3/Da / Density % sol: 61.04 % / Description: NONE |
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Crystal grow | pH: 6.5 Details: 0.1 M SODIUM CACODYLATE PH 6.5, 0.1 M SODIUM CITRATE, 30 % ISOPROPANOL, 10 MM DCTP |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Feb 20, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→60.52 Å / Num. obs: 26919 / % possible obs: 98.8 % / Observed criterion σ(I): -5 / Redundancy: 3.6 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 10.6 |
Reflection shell | Resolution: 2.9→3.06 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.73 / Mean I/σ(I) obs: 2 / % possible all: 98.9 |
-Processing
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 4AHC Resolution: 2.9→102.82 Å / Cor.coef. Fo:Fc: 0.936 / Cor.coef. Fo:Fc free: 0.912 / SU B: 18.582 / SU ML: 0.342 / Cross valid method: THROUGHOUT / ESU R Free: 0.39 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 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 mean: 72.472 Å2
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Refinement step | Cycle: LAST / Resolution: 2.9→102.82 Å
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