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Yorodumi- PDB-4mkx: Crystal Structure of apo scyllo-inositol dehydrogenase from Lacto... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4mkx | ||||||
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Title | Crystal Structure of apo scyllo-inositol dehydrogenase from Lactobacillus casei | ||||||
Components | Inositol dehydrogenase | ||||||
Keywords | OXIDOREDUCTASE / NAD / sugar alcohol dehydrogenases / Rossmann fold / dehydrogenase / scyllo-inositol / dehydrogenate | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Lactobacillus casei (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.6 Å | ||||||
Authors | Bertwistle, D. / Linda, V. / Sanders, D.A.R. / Palmer, D.R.J. | ||||||
Citation | Journal: To be Published Title: Crystal Structure of apo scyllo-inositol dehydrogenase from Lactobacillus casei Authors: Bertwistle, D. / Aamudalapalli, H. / Vogt, L. / Sanders, D.A.R. / Palmer, D.R.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4mkx.cif.gz | 81 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4mkx.ent.gz | 59.6 KB | Display | PDB format |
PDBx/mmJSON format | 4mkx.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mk/4mkx ftp://data.pdbj.org/pub/pdb/validation_reports/mk/4mkx | HTTPS FTP |
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-Related structure data
Related structure data | |
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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 on special symmetry positions |
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-Components
#1: Protein | Mass: 39080.344 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lactobacillus casei (bacteria) / Strain: BL23 / Gene: idh, iolG, iolG2, LCABL_02220 / Plasmid: pQE-80L / Production host: Escherichia coli (E. coli) / Strain (production host): XL1-Blue References: UniProt: A5YBJ8, Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.29 Å3/Da / Density % sol: 46.26 % |
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Crystal grow | Temperature: 298 K / Method: microbatch / pH: 5 Details: 1:1 2.8 M ammonium sulfate + 0.18 M citric acid, pH 5.0 to 25 mM Tris-Hcl, pH 8.0, MICROBATCH, temperature 298K |
-Data collection
Diffraction | Mean temperature: 293 K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: CLSI / Beamline: 08ID-1 / Wavelength: 0.97952 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: RAYONIX MX-300 / Detector: CCD / Date: Jun 26, 2012 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Monochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.97952 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 1.6→90.155 Å / Num. all: 47857 / Num. obs: 47857 / % possible obs: 100 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 7.3 % / Biso Wilson estimate: 19.23 Å2 / Rsym value: 0.076 / Net I/σ(I): 12.3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Phasing
Phasing | Method: molecular replacement |
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.6→35.065 Å / Occupancy max: 1 / Occupancy min: 0 / FOM work R set: 0.8161 / SU ML: 0.18 / σ(F): 1.35 / Phase error: 25.03 / 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 61.11 Å2 / Biso mean: 20.3408 Å2 / Biso min: 5.7 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.6→35.065 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 17
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