+Open data
-Basic information
Entry | Database: PDB / ID: 2q6l | ||||||
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Title | SalL double mutant Y70T/G131S with CLDA and L-MET | ||||||
Components | Hypothetical protein | ||||||
Keywords | BIOSYNTHETIC PROTEIN / chlorinase / double mutant complex with ClDA and L-Met | ||||||
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: 2.72 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 | 2q6l.cif.gz | 63.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2q6l.ent.gz | 45.7 KB | Display | PDB format |
PDBx/mmJSON format | 2q6l.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q6/2q6l ftp://data.pdbj.org/pub/pdb/validation_reports/q6/2q6l | HTTPS FTP |
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-Related structure data
Related structure data | 2q6iC 2q6kC 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
#1: Protein | Mass: 30257.312 Da / Num. of mol.: 1 / Mutation: Y70T and G131S 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: 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: 55.2 % |
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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 | 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: 2.72→20 Å / Num. obs: 9501 / Redundancy: 4.07 % / Rmerge(I) obs: 0.14 / Net I/σ(I): 9.62 |
Reflection shell | Resolution: 2.72→2.88 Å / Redundancy: 4.14 % / Rmerge(I) obs: 0.37 / Mean I/σ(I) obs: 3.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1RQP Resolution: 2.72→20 Å / Cor.coef. Fo:Fc: 0.874 / Cor.coef. Fo:Fc free: 0.81 / SU B: 12.531 / SU ML: 0.262 / Cross valid method: THROUGHOUT / ESU R: 0.96 / ESU R Free: 0.372 / 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: 16.178 Å2
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Refinement step | Cycle: LAST / Resolution: 2.72→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.721→2.791 Å / Total num. of bins used: 20
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