+Open data
-Basic information
Entry | Database: PDB / ID: 1q1l | ||||||
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Title | Crystal Structure of Chorismate Synthase | ||||||
Components | Chorismate synthase | ||||||
Keywords | LYASE / beta alpha beta sandwich / Structural Genomics / PSI / Protein Structure Initiative / Midwest Center for Structural Genomics / MCSG | ||||||
Function / homology | Function and homology information chorismate synthase / chorismate synthase activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / FMN binding / cytosol Similarity search - Function | ||||||
Biological species | Aquifex aeolicus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.05 Å | ||||||
Authors | Viola, C.M. / Saridakis, V. / Christendat, D. / Midwest Center for Structural Genomics (MCSG) | ||||||
Citation | Journal: PROTEINS: STRUCT.,FUNCT.,GENET. / Year: 2004 Title: Crystal structure of chorismate synthase from Aquifex aeolicus reveals a novel beta alpha beta sandwich topology Authors: Viola, C.M. / Saridakis, V. / Christendat, D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1q1l.cif.gz | 276.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1q1l.ent.gz | 232.5 KB | Display | PDB format |
PDBx/mmJSON format | 1q1l.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q1/1q1l ftp://data.pdbj.org/pub/pdb/validation_reports/q1/1q1l | HTTPS FTP |
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-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: 44931.195 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Aquifex aeolicus (bacteria) / Gene: AROC / Plasmid: pET15B / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: O66493, chorismate synthase #2: Water | ChemComp-HOH / | |
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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: 2.32 Å3/Da / Density % sol: 46.97 % | ||||||||||||||||||||||||||||
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Crystal grow | Method: vapor diffusion, hanging drop / pH: 7.5 Details: 30% isopropanol, 0.1M Na Hepes, 0.2M magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 100K | ||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction |
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Diffraction source |
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Detector |
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Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||
Radiation wavelength |
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Reflection | Resolution: 2.05→30 Å / Num. obs: 164607 / Redundancy: 6.5 % / Biso Wilson estimate: 16.7 Å2 / Rmerge(I) obs: 0.073 / Net I/σ(I): 26.4 | |||||||||||||||
Reflection shell | Resolution: 2.05→2.12 Å / Mean I/σ(I) obs: 3.3 / Num. unique all: 19497 / Rsym value: 0.503 / % possible all: 100 | |||||||||||||||
Reflection | *PLUS Num. obs: 99491 / % possible obs: 97.5 % / Num. measured all: 651230 | |||||||||||||||
Reflection shell | *PLUS % possible obs: 92.8 % / Rmerge(I) obs: 0.503 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 2.05→24.63 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 534076.69 / Data cutoff high rms absF: 534076.69 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 2 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 63.8403 Å2 / ksol: 0.360776 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 45.7 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.05→24.63 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.05→2.18 Å / Rfactor Rfree error: 0.01 / Total num. of bins used: 6
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Xplor file |
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Refinement | *PLUS Lowest resolution: 30 Å / % reflection Rfree: 4 % / Rfactor Rfree: 0.25 | ||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Lowest resolution: 2.12 Å |