+Open data
-Basic information
Entry | Database: PDB / ID: 2q6i | ||||||
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Title | salL with ClDA and LMet | ||||||
Components | Hypothetical protein | ||||||
Keywords | BIOSYNTHETIC PROTEIN / chlorinase / ClDA and L-Met complex | ||||||
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: 2.6 Å | ||||||
Authors | Noel, J.P. / Pojer, F. | ||||||
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 | 2q6i.cif.gz | 66.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2q6i.ent.gz | 48.7 KB | Display | PDB format |
PDBx/mmJSON format | 2q6i.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2q6i_validation.pdf.gz | 752.8 KB | Display | wwPDB validaton report |
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Full document | 2q6i_full_validation.pdf.gz | 754.5 KB | Display | |
Data in XML | 2q6i_validation.xml.gz | 13 KB | Display | |
Data in CIF | 2q6i_validation.cif.gz | 17.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q6/2q6i ftp://data.pdbj.org/pub/pdb/validation_reports/q6/2q6i | HTTPS FTP |
-Related structure data
Related structure data | 2q6kC 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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1 |
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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 / Gene: salL / 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-5CD / | ||
#3: Chemical | ChemComp-MET / | ||
#4: Chemical | #5: 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: 55.26 % |
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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: Nov 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: 2.6→20 Å / Num. obs: 10922 / Redundancy: 14.92 % / Rsym value: 0.153 / Net I/σ(I): 19.39 |
Reflection shell | Resolution: 2.6→2.76 Å / Redundancy: 14.65 % / Rsym value: 0.454 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1RQP Resolution: 2.6→19.94 Å / Cor.coef. Fo:Fc: 0.907 / Cor.coef. Fo:Fc free: 0.868 / SU B: 9.457 / SU ML: 0.212 / Cross valid method: THROUGHOUT / ESU R: 0.591 / ESU R Free: 0.315 / 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: 18.261 Å2
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Refinement step | Cycle: LAST / Resolution: 2.6→19.94 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.601→2.667 Å / Total num. of bins used: 20
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