+Open data
-Basic information
Entry | Database: PDB / ID: 2o11 | ||||||
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Title | Mycobacterium tuberculosis Chorismate synthase | ||||||
Components | Chorismate synthase | ||||||
Keywords | LYASE / Shikimate pathway / M. tuberculosis / Chorismate synthase | ||||||
Function / homology | Function and homology information chorismate synthase / chorismate synthase activity / Chorismate via Shikimate Pathway / oxidoreductase activity, acting on NAD(P)H / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / amino acid biosynthetic process / NAD binding / FMN binding / cytosol Similarity search - Function | ||||||
Biological species | Mycobacterium tuberculosis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 1.65 Å | ||||||
Authors | Bruning, M. / Bartunik, H.D. | ||||||
Citation | Journal: To be Published Title: Complexes of Chorismate synthase from M. tuberculosis Authors: Bruning, M. / Bourenkov, G.P. / Strizhov, N.I. / Bartunik, H.D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2o11.cif.gz | 101.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2o11.ent.gz | 76.4 KB | Display | PDB format |
PDBx/mmJSON format | 2o11.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2o11_validation.pdf.gz | 453.8 KB | Display | wwPDB validaton report |
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Full document | 2o11_full_validation.pdf.gz | 456.1 KB | Display | |
Data in XML | 2o11_validation.xml.gz | 22.2 KB | Display | |
Data in CIF | 2o11_validation.cif.gz | 34.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/o1/2o11 ftp://data.pdbj.org/pub/pdb/validation_reports/o1/2o11 | HTTPS FTP |
-Related 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: 42673.250 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium tuberculosis (bacteria) / Strain: H37Rv / Gene: aroF / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta2 (DE3) References: UniProt: P63611, UniProt: P9WPY1*PLUS, chorismate synthase | ||||||
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#2: Chemical | #3: Chemical | #4: Chemical | ChemComp-TRS / | #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: 4.83 Å3/Da / Density % sol: 74.52 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 4.5 Details: 4.8 M NH4-Acetate, 0.1 M Na-Acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: MPG/DESY, HAMBURG / Beamline: BW6 / Wavelength: 1.05 Å |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: Oct 26, 2005 / Details: Au-coated planar; toroidal mirrors |
Radiation | Monochromator: Si111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.05 Å / Relative weight: 1 |
Reflection | Resolution: 1.65→20 Å / Num. all: 101009 / Num. obs: 100281 / % possible obs: 99.3 % / Observed criterion σ(I): 2.8 / Redundancy: 4 % / Biso Wilson estimate: 26.3 Å2 / Rmerge(I) obs: 0.075 / Net I/σ(I): 20.5 |
Reflection shell | Resolution: 1.65→1.67 Å / Redundancy: 3 % / Rmerge(I) obs: 0.448 / Mean I/σ(I) obs: 2.8 / Num. unique all: 3955 / % possible all: 99.7 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS / Resolution: 1.65→19.71 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.962 / SU B: 1.549 / SU ML: 0.051 / Cross valid method: THROUGHOUT / ESU R: 0.067 / ESU R Free: 0.068 / 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: 1.2 Å / Solvent model: BABINET MODEL WITH MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 23.924 Å2
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Refinement step | Cycle: LAST / Resolution: 1.65→19.71 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.65→1.693 Å / Total num. of bins used: 20
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