+Open data
-Basic information
Entry | Database: PDB / ID: 1fq0 | ||||||
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Title | KDPG ALDOLASE FROM ESCHERICHIA COLI | ||||||
Components | KDPG ALDOLASE2-Dehydro-3-deoxy-phosphogluconate aldolase | ||||||
Keywords | LYASE / Aldolase / TIM Barrel | ||||||
Function / homology | Function and homology information (4S)-4-hydroxy-2-oxoglutarate aldolase activity / 4-hydroxy-2-oxoglutarate aldolase / 2-dehydro-3-deoxy-phosphogluconate aldolase / 4-hydroxy-2-oxoglutarate aldolase activity / oxo-acid-lyase activity / 2-dehydro-3-deoxy-phosphogluconate aldolase activity / oxaloacetate decarboxylase activity / metabolic process / membrane / identical protein binding / cytosol Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.1 Å | ||||||
Authors | Naismith, J.H. | ||||||
Citation | Journal: Structure / Year: 2001 Title: Directed evolution of a new catalytic site in 2-keto-3-deoxy-6-phosphogluconate aldolase from Escherichia coli. Authors: Wymer, N. / Buchanan, L.V. / Henderson, D. / Mehta, N. / Botting, C.H. / Pocivavsek, L. / Fierke, C.A. / Toone, E.J. / Naismith, J.H. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1fq0.cif.gz | 137.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1fq0.ent.gz | 107.7 KB | Display | PDB format |
PDBx/mmJSON format | 1fq0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fq/1fq0 ftp://data.pdbj.org/pub/pdb/validation_reports/fq/1fq0 | HTTPS FTP |
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-Related 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: 22304.951 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Plasmid: PET-28B / Production host: Escherichia coli (E. coli) References: UniProt: P0A955, 2-dehydro-3-deoxy-phosphogluconate aldolase #2: Chemical | #3: 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: 2.27 Å3/Da / Density % sol: 45.79 % | ||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293.5 K / Method: vapor diffusion, hanging drop / pH: 4 Details: PEG 6000, citric acid, sucrose, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.5K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 8 / Method: vapor diffusion, sitting dropDetails: Buchanan, L.Vl., (1999) Acta Crystallogr., D55, 1946. | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SRS / Beamline: PX9.6 / Wavelength: 0.87 |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: May 28, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→30 Å / Num. all: 148386 / Num. obs: 31186 / % possible obs: 85.4 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.7 % / Biso Wilson estimate: 10.8 Å2 / Rmerge(I) obs: 0.131 / Net I/σ(I): 17.2 |
Reflection shell | Resolution: 2.1→2.18 Å / Redundancy: 1.4 % / Rmerge(I) obs: 0.164 / Num. unique all: 1380 / % possible all: 38.7 |
Reflection | *PLUS Highest resolution: 2.1 Å / Lowest resolution: 30 Å / Num. obs: 27601 / % possible obs: 94 % / Redundancy: 5.1 % / Num. measured all: 148386 / Rmerge(I) obs: 0.057 |
Reflection shell | *PLUS Highest resolution: 2.26 Å / Lowest resolution: 2.37 Å / % possible obs: 80 % / Redundancy: 2.5 % / Rmerge(I) obs: 0.142 / Mean I/σ(I) obs: 4 |
-Processing
Software |
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Refinement | Resolution: 2.1→30 Å / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.1→30 Å
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Refine LS restraints |
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Software | *PLUS Name: CNS / Classification: refinement | |||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 30 Å / σ(F): 0 / % reflection Rfree: 5 % / Highest resolution: 2.1 Å | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS |