+Open data
-Basic information
Entry | Database: PDB / ID: 4o1t | ||||||
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Title | Crystal structure of murine neuroglobin mutant F106W | ||||||
Components | Neuroglobin | ||||||
Keywords | TRANSPORT PROTEIN / Globin / oxygen storage-transporter | ||||||
Function / homology | Function and homology information Intracellular oxygen transport / GDP-dissociation inhibitor activity / nitrite reductase activity / Oxidoreductases; Acting on other nitrogenous compounds as donors / oxygen transport / oxygen carrier activity / cellular response to hydrogen peroxide / oxygen binding / neuron projection development / cellular response to hypoxia ...Intracellular oxygen transport / GDP-dissociation inhibitor activity / nitrite reductase activity / Oxidoreductases; Acting on other nitrogenous compounds as donors / oxygen transport / oxygen carrier activity / cellular response to hydrogen peroxide / oxygen binding / neuron projection development / cellular response to hypoxia / perikaryon / response to hypoxia / mitochondrial matrix / apoptotic process / heme binding / negative regulation of apoptotic process / metal ion binding / cytosol Similarity search - Function | ||||||
Biological species | Mus musculus (house mouse) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.6 Å | ||||||
Authors | Avella, G. / Savino, C. / Vallone, B. | ||||||
Citation | Journal: Acta Crystallogr.,Sect.D / Year: 2014 Title: Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism. Authors: Avella, G. / Ardiccioni, C. / Scaglione, A. / Moschetti, T. / Rondinelli, C. / Montemiglio, L.C. / Savino, C. / Giuffre, A. / Brunori, M. / Vallone, B. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4o1t.cif.gz | 53.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4o1t.ent.gz | 39.2 KB | Display | PDB format |
PDBx/mmJSON format | 4o1t.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/o1/4o1t ftp://data.pdbj.org/pub/pdb/validation_reports/o1/4o1t | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 17345.607 Da / Num. of mol.: 1 / Mutation: C55S, F106W, C120S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Gene: Ngb / Production host: Escherichia coli (E. coli) / References: UniProt: Q9ER97 |
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#2: Chemical | ChemComp-HEM / |
#3: Chemical | ChemComp-SO4 / |
#4: 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: 2.45 Å3/Da / Density % sol: 49.76 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 1.6M ammonium sulfate, 0.1M MES, 10% dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.86437 Å |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Apr 19, 2012 |
Radiation | Monochromator: Si-111 crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.86437 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→31.67 Å / Num. obs: 22607 / % possible obs: 99.97 % / Observed criterion σ(F): 3 / Observed criterion σ(I): 3 / Biso Wilson estimate: 14.72 Å2 |
Reflection shell | Resolution: 1.6→1.657 Å / % possible all: 99.96 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.6→31.67 Å / Occupancy max: 1 / Occupancy min: 0.03 / FOM work R set: 0.8945 / SU ML: 0.39 / σ(F): 1.39 / Phase error: 17.4 / Stereochemistry target values: MLHL
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Solvent computation | Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 48.16 Å2 / ksol: 0.355 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 94.04 Å2 / Biso mean: 21.7715 Å2 / Biso min: 5.77 Å2
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Refinement step | Cycle: LAST / Resolution: 1.6→31.67 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: 14 / % reflection obs: 100 %
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