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Yorodumi- PDB-4lj2: Crystal structure of chorismate synthase from Acinetobacter bauma... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4lj2 | ||||||
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Title | Crystal structure of chorismate synthase from Acinetobacter baumannii at 3.15A resolution | ||||||
Components | Chorismate synthase | ||||||
Keywords | LYASE | ||||||
Function / homology | Function and homology information chorismate synthase / chorismate synthase activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / amino acid biosynthetic process / FMN binding / cytosol Similarity search - Function | ||||||
Biological species | Acinetobacter baumannii (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.15 Å | ||||||
Authors | Chaudhary, A. / Singh, N. / Kaushik, S. / Tyagi, T.K. / Sinha, M. / Kaur, P. / Sharma, S. / Singh, T.P. | ||||||
Citation | Journal: To be Published Title: Crystal structure of chorismate synthase from Acinetobacter baumannii at 3.15A resolution Authors: Chaudhary, A. / Singh, N. / Kaushik, S. / Tyagi, T.K. / Sinha, M. / Kaur, P. / Sharma, S. / Singh, T.P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4lj2.cif.gz | 127.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4lj2.ent.gz | 100.3 KB | Display | PDB format |
PDBx/mmJSON format | 4lj2.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/lj/4lj2 ftp://data.pdbj.org/pub/pdb/validation_reports/lj/4lj2 | HTTPS FTP |
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-Related structure data
Related structure data | 1r52S 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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Unit cell |
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-Components
#1: Protein | Mass: 39051.184 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Acinetobacter baumannii (bacteria) / Strain: ATCC 19606 / Gene: aroC / Production host: Escherichia coli (E. coli) / References: UniProt: D0C7F3, chorismate synthase |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.27 Å3/Da / Density % sol: 45.91 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 50mM Tris-HCl, 0.2M MgCl2, 20% PEG3350, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 77 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.97 Å |
Detector | Type: MARRESEARCH / Detector: CCD / Date: May 1, 2013 / Details: Mirror |
Radiation | Monochromator: Graphite / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97 Å / Relative weight: 1 |
Reflection | Resolution: 3.15→46.54 Å / Num. all: 12779 / Num. obs: 12153 / % possible obs: 99.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Biso Wilson estimate: 37.7 Å2 |
Reflection shell | Resolution: 3.15→3.24 Å / % possible all: 96.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1R52 Resolution: 3.15→46.54 Å / Rfactor Rfree error: 0.01 / Data cutoff high absF: 1394503.52 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 20.1423 Å2 / ksol: 0.329481 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 35.6 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 3.15→46.54 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 3.15→3.35 Å / Rfactor Rfree error: 0.029 / Total num. of bins used: 6
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Xplor file |
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