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- PDB-2g8s: Crystal structure of the soluble Aldose sugar dehydrogenase (Asd)... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2g8s | ||||||
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Title | Crystal structure of the soluble Aldose sugar dehydrogenase (Asd) from Escherichia coli in the apo-form | ||||||
![]() | Glucose/sorbosone dehydrogenases | ||||||
![]() | SUGAR BINDING PROTEIN / 6 bladed beta-propellor / pyrolloquinoline quinone (PQQ) / quinoprotein | ||||||
Function / homology | ![]() Oxidoreductases; Acting on the CH-OH group of donors; With a quinone or similar compound as acceptor / oxidoreductase activity, acting on the CH-OH group of donors, quinone or similar compound as acceptor / pyrroloquinoline quinone binding / cell outer membrane / outer membrane-bounded periplasmic space / calcium ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Southall, S.M. / Doel, J.J. / Richardson, D.J. / Oubrie, A. | ||||||
![]() | ![]() Title: Soluble Aldose Sugar Dehydrogenase from Escherichia coli: A HIGHLY EXPOSED ACTIVE SITE CONFERRING BROAD SUBSTRATE SPECIFICITY. Authors: Southall, S.M. / Doel, J.J. / Richardson, D.J. / Oubrie, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 336.8 KB | Display | ![]() |
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PDB format | ![]() | 283.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 456.8 KB | Display | ![]() |
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Full document | ![]() | 465.6 KB | Display | |
Data in XML | ![]() | 39.1 KB | Display | |
Data in CIF | ![]() | 61.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Details | The biological unit is a monomer of which there are two in the asymmetric unit. |
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Components
#1: Protein | Mass: 39252.191 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | #3: Chemical | ChemComp-PO4 / | #4: Chemical | ChemComp-EDO / #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.22 Å3/Da / Density % sol: 44.67 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 9.2 Details: 18 % PEG 6000, 100 mM CHES, 100 mM sodium chloride, 1 mM calcium chloride, pH 9.2, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 11, 2004 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97935 Å / Relative weight: 1 |
Reflection | Resolution: 1.315→75.378 Å / Num. all: 162184 / Num. obs: 162184 / % possible obs: 72.2 % / Observed criterion σ(F): 0.2 / Observed criterion σ(I): 5 / Redundancy: 3.3 % / Rmerge(I) obs: 0.057 / Rsym value: 0.057 / Net I/σ(I): 6.9 |
Reflection shell | Resolution: 1.31→1.38 Å / % possible obs: 10.9 % / Redundancy: 1.7 % / Rmerge(I) obs: 0.386 / Mean I/σ(I) obs: 1.9 / Num. measured all: 4343 / Num. unique obs: 2572 / Rsym value: 0.386 / % possible all: 10.9 |
-Phasing
Phasing | Method: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Phasing MAD | D res high: 1.35 Å / D res low: 75.38 Å / FOM : 0.207 / FOM acentric: 0.211 / FOM centric: 0 / Reflection: 116796 / Reflection acentric: 114663 / Reflection centric: 2133 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phasing MAD set | R cullis acentric: 1.42 / R cullis centric: 1 / Highest resolution: 1.35 Å / Lowest resolution: 75.38 Å / Loc acentric: 0.2 / Loc centric: 0.2 / Power acentric: 0 / Power centric: 0 / Reflection acentric: 114663 / Reflection centric: 2133 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phasing MAD set shell | ID: 1 / R cullis centric: 1 / Power acentric: 0 / Power centric: 0
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Phasing MAD set site |
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Phasing MAD shell |
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Phasing dm | Method: Solvent flattening and Histogram matching / Reflection: 116796 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phasing dm shell |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 12.384 Å2
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Refinement step | Cycle: LAST / Resolution: 1.5→7.96 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.5→1.538 Å / Total num. of bins used: 20
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