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Yorodumi- PDB-1sq1: Crystal Structure of the Chorismate Synthase from Campylobacter j... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1sq1 | ||||||
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Title | Crystal Structure of the Chorismate Synthase from Campylobacter jejuni, Northeast Structural Genomics Target BR19 | ||||||
Components | Chorismate synthase | ||||||
Keywords | LYASE / Structural Genomics / Bifunctional alpha/beta tetrameric protein / PSI / Protein Structure Initiative / Northeast Structural Genomics Consortium / NESG | ||||||
Function / homology | Function and homology information chorismate synthase / chorismate synthase activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process Similarity search - Function | ||||||
Biological species | Campylobacter jejuni (Campylobacter) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.8 Å | ||||||
Authors | Forouhar, F. / Lee, I. / Vorobiev, S.M. / Xiao, R. / Acton, T.B. / Montelione, G.T. / Tong, L. / Hunt, J.F. / Northeast Structural Genomics Consortium (NESG) | ||||||
Citation | Journal: To be Published Title: Crystal Structure of the Chorismate Synthase from Campylobacter jejuni, Northeast Structural Genomics Target BR19 Authors: Forouhar, F. / Lee, I. / Vorobiev, S.M. / Xiao, R. / Acton, T.B. / Montelione, G.T. / Tong, L. / Hunt, J.F. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1sq1.cif.gz | 63.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1sq1.ent.gz | 51 KB | Display | PDB format |
PDBx/mmJSON format | 1sq1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1sq1_validation.pdf.gz | 437.1 KB | Display | wwPDB validaton report |
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Full document | 1sq1_full_validation.pdf.gz | 445 KB | Display | |
Data in XML | 1sq1_validation.xml.gz | 13.1 KB | Display | |
Data in CIF | 1sq1_validation.cif.gz | 16.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/sq/1sq1 ftp://data.pdbj.org/pub/pdb/validation_reports/sq/1sq1 | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 40705.129 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Campylobacter jejuni (Campylobacter) / Strain: NCTC 11168 / Gene: AROC OR CJ1634 / Plasmid: pET21 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)+Magic / References: UniProt: Q9PM41, chorismate synthase | ||
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#2: Chemical | #3: 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: 3.81 Å3/Da / Density % sol: 67.43 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop Details: Protein solution: 10mM Tris (pH 7.5), 5mM DTT, 100mM NaCl. Well solution: 50mM NaAcetate (pH 4.6), 1M ammonium sulfate, 10mM DTT, 25mM octanoylsucrose, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X4A / Wavelength: 0.97914 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Jan 30, 2004 / Details: mirrors |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97914 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→29.6 Å / Num. obs: 21612 / % possible obs: 98.9 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 6.6 % / Biso Wilson estimate: -1.9 Å2 / Rmerge(I) obs: 0.061 / Rsym value: 0.062 / Net I/σ(I): 22.4 |
Reflection shell | Resolution: 2.8→2.9 Å / Redundancy: 5.1 % / Rmerge(I) obs: 0.188 / Mean I/σ(I) obs: 6 / Num. unique all: 2148 / Rsym value: 0.19 / % possible all: 98.3 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 2.8→29.6 Å / Isotropic thermal model: Overall anisotropic / Cross valid method: THROUGHOUT / σ(F): 2 / σ(I): 2 / Stereochemistry target values: Engh & Huber / Details: Used weighted full matrix least squares procedure.
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Displacement parameters | Biso mean: 69.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.8→29.6 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.8→2.98 Å / Rfactor Rfree error: 0.024
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