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Open data
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Basic information
Entry | Database: PDB / ID: 1dxe | ||||||
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Title | 2-dehydro-3-deoxy-galactarate aldolase from Escherichia coli | ||||||
![]() | 2-DEHYDRO-3-DEOXY-GALACTARATE ALDOLASE | ||||||
![]() | CLASS II ALDOLASE | ||||||
Function / homology | ![]() 2-dehydro-3-deoxyglucarate aldolase / 2-dehydro-3-deoxyglucarate aldolase activity / glucarate catabolic process / galactarate catabolic process / D-glucarate catabolic process / carbon-carbon lyase activity / aldehyde-lyase activity / magnesium ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Izard, T. / Blackwell, N.C. | ||||||
![]() | ![]() Title: Crystal Structures of the Metal-Dependent 2-Dehydro-3-Deoxy-Galactarate Aldolase Suggest a Novel Reaction Mechanism. Authors: Izard, T. / Blackwell, N.C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 118.5 KB | Display | ![]() |
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PDB format | ![]() | 92.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 379.4 KB | Display | ![]() |
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Full document | ![]() | 384 KB | Display | |
Data in XML | ![]() | 11.4 KB | Display | |
Data in CIF | ![]() | 20.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.997, 0.0769, -0.0075), Vector: Details | BIOLOGICAL_UNIT: HEXAMER | |
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Components
#1: Protein | Mass: 27411.074 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() References: UniProt: P23522, 2-dehydro-3-deoxyglucarate aldolase #2: Chemical | ChemComp-PO4 / #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.34 Å3/Da / Density % sol: 48 % | ||||||||||||||||||||||||||||||
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Crystal grow | pH: 5 / Details: pH 5.00 | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging dropDetails: Blackwell, N.C., (1999) Acta Crystallogr., D55, 1368. | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||
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Diffraction source | Source: ![]() ![]() ![]() | ||||||||||||
Radiation | Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||
Radiation wavelength |
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Reflection | Resolution: 1.82→20 Å / Num. obs: 1386204 / % possible obs: 99.7 % / Redundancy: 29.1 % / Biso Wilson estimate: 16.9 Å2 / Rmerge(I) obs: 0.049 / Rsym value: 0.049 / Net I/σ(I): 83.3 | ||||||||||||
Reflection | *PLUS Num. obs: 47695 / Num. measured all: 1386204 | ||||||||||||
Reflection shell | *PLUS % possible obs: 99.4 % / Rmerge(I) obs: 0.336 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 48.1746 Å2 / ksol: 0.352355 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 17.8 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.8→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.8→1.91 Å / Rfactor Rfree error: 0.016 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 0.9 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.26 / Rfactor obs: 0.214 |