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Yorodumi- PDB-4q5o: Crystal structure of EctD from S. alaskensis with 2-oxoglutarate ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4q5o | ||||||
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Title | Crystal structure of EctD from S. alaskensis with 2-oxoglutarate and 5-hydroxyectoine | ||||||
Components | Ectoine hydroxylase | ||||||
Keywords | OXIDOREDUCTASE / jelly-roll or cupin fold / ectoine hydroxylase | ||||||
Function / homology | Function and homology information ectoine hydroxylase / 2-oxoglutarate-dependent dioxygenase activity / iron ion binding Similarity search - Function | ||||||
Biological species | Sphingopyxis alaskensis RB2256 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.64 Å | ||||||
Authors | Hoeppner, A. / Widderich, N. / Bremer, E. / Smits, S.H. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2014 Title: Crystal structure of the ectoine hydroxylase, a snapshot of the active site. Authors: Hoppner, A. / Widderich, N. / Lenders, M. / Bremer, E. / Smits, S.H. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4q5o.cif.gz | 124.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4q5o.ent.gz | 96 KB | Display | PDB format |
PDBx/mmJSON format | 4q5o.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q5/4q5o ftp://data.pdbj.org/pub/pdb/validation_reports/q5/4q5o | HTTPS FTP |
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-Related structure data
Related structure data | 4mhrSC 4mhuC C: citing same article (ref.) S: Starting model for refinement |
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Similar 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: 35226.602 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Sphingopyxis alaskensis RB2256 (bacteria) Strain: DSM 13593 / LMG 18877 / RB2256 / Gene: Sala_2952 / Production host: Escherichia coli (E. coli) / References: UniProt: Q1GNW5 #2: Chemical | #3: Chemical | #4: Chemical | #5: 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: 2.37 Å3/Da / Density % sol: 48.2 % |
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Crystal grow | Temperature: 273 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 100 mM MES pH 6.0, 200 mM Ca-acetate, 30% (w/v) PEG 400 , VAPOR DIFFUSION, HANGING DROP, temperature 273K |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: Nov 17, 2013 |
Radiation | Monochromator: Ni FILTER / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 2.64→30 Å / Num. all: 20291 / Num. obs: 20236 / % possible obs: 99.7 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 |
Reflection shell | Resolution: 2.64→2.74 Å / % possible all: 99.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 4MHR Resolution: 2.64→30 Å / SU ML: 0.42 / σ(F): 1.34 / Phase error: 29.95 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.64→30 Å
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Refine LS restraints |
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LS refinement shell |
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