+Open data
-Basic information
Entry | Database: PDB / ID: 2q6k | ||||||
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Title | SalL with adenosine | ||||||
Components | chlorinase | ||||||
Keywords | BIOSYNTHETIC PROTEIN / chlorinase / complex with adenosine | ||||||
Function / homology | Function and homology information adenosyl-chloride synthase / transferase activity, transferring alkyl or aryl (other than methyl) groups Similarity search - Function | ||||||
Biological species | Salinispora tropica (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.55 Å | ||||||
Authors | Pojer, F. / Noel, J.P. | ||||||
Citation | Journal: Nat.Chem.Biol. / Year: 2008 Title: Discovery and characterization of a marine bacterial SAM-dependent chlorinase Authors: Eustaquio, A.S. / Pojer, F. / Noel, J.P. / Moore, B.S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2q6k.cif.gz | 69 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2q6k.ent.gz | 49.9 KB | Display | PDB format |
PDBx/mmJSON format | 2q6k.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2q6k_validation.pdf.gz | 772.8 KB | Display | wwPDB validaton report |
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Full document | 2q6k_full_validation.pdf.gz | 775.1 KB | Display | |
Data in XML | 2q6k_validation.xml.gz | 13.4 KB | Display | |
Data in CIF | 2q6k_validation.cif.gz | 19.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q6/2q6k ftp://data.pdbj.org/pub/pdb/validation_reports/q6/2q6k | HTTPS FTP |
-Related structure data
Related structure data | 2q6iC 2q6lC 2q6oC 1rqpS 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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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 30175.256 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Salinispora tropica (bacteria) / Strain: CNB-440 / Plasmid: pHis8 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: A4X3Q0 | ||
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#2: Chemical | ChemComp-ADN / | ||
#3: Chemical | #4: 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: 2.75 Å3/Da / Density % sol: 55.34 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 28% PEG3350, 0.3M KCL, 2mM DTT, 0.1 M MOPSO, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 1 Å |
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Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Sep 1, 2006 |
Radiation | Monochromator: Double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.55→20 Å / Num. obs: 48185 / Redundancy: 4.98 % / Rmerge(I) obs: 0.053 / Net I/σ(I): 19.53 |
Reflection shell | Resolution: 1.55→1.65 Å / Redundancy: 3.17 % / Rmerge(I) obs: 0.224 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB 1RQP Resolution: 1.55→20 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.931 / SU B: 1.129 / SU ML: 0.043 / Cross valid method: THROUGHOUT / ESU R: 0.079 / ESU R Free: 0.075 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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: 14.405 Å2
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Refinement step | Cycle: LAST / Resolution: 1.55→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.553→1.593 Å / Total num. of bins used: 20
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