+Open data
-Basic information
Entry | Database: PDB / ID: 6r1q | ||||||
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Title | murine Neuroglobin under 2 kBar of argon | ||||||
Components | Neuroglobin | ||||||
Keywords | OXYGEN STORAGE / neuroglobin / argon / high pressure | ||||||
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 / FOURIER SYNTHESIS / Resolution: 1.95 Å | ||||||
Authors | Prange, T. / Colloc'h, N. / Carpentier, P. / Vallone, B. | ||||||
Citation | Journal: To Be Published Title: Argon-labelling protein crystals by high pressure cooling at 2000 Bar Authors: Prange, T. / Colloc'h, N. / Carpentier, P. / van Linden, P. #1: Journal: Journal of Applied Crystallography / Year: 2016 Title: Gas-sensitive biological crystals processed in pressurized oxygen and krypton atmospheres: deciphering gas channels in proteins using a novel `soak-and-freeze' methodology Authors: Lafumat, B. / Mueller-Dieckmann, C. / Leonard, G. / Prange, T. / Giraud, T. / Dobias, F. / Royant, A. / van der Linden, P. / Carpentier, P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6r1q.cif.gz | 51.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6r1q.ent.gz | 35.4 KB | Display | PDB format |
PDBx/mmJSON format | 6r1q.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/r1/6r1q ftp://data.pdbj.org/pub/pdb/validation_reports/r1/6r1q | HTTPS FTP |
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-Related structure data
Related structure data | 4o4tS 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 on special symmetry positions |
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-Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 16634.871 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: CYS 55 and CYS 120 mutated in SER residues / Source: (gene. exp.) Mus musculus (house mouse) / Gene: Ngb / Production host: Escherichia coli (E. coli) / References: UniProt: Q9ER97 |
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-Non-polymers , 5 types, 119 molecules
#2: Chemical | ChemComp-SO4 / | ||||
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#3: Chemical | ChemComp-HEM / | ||||
#4: Chemical | ChemComp-AR / #5: Chemical | ChemComp-CL / | #6: 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: 2.58 Å3/Da / Density % sol: 52.3 % / Description: Deep red cubes |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion / pH: 6.5 Details: 1.6M AMMONIUM SULPHATE, 0.1M MES, PH 6.5, 10 % DIOXANE |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID30B / Wavelength: 1.771 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 27, 2018 |
Radiation | Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.771 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→45.35 Å / Num. obs: 15605 / % possible obs: 98.8 % / Redundancy: 16.3 % / Biso Wilson estimate: 31.8 Å2 / Rmerge(I) obs: 0.076 / Rpim(I) all: 0.019 / Net I/σ(I): 21.7 |
Reflection shell | Resolution: 1.8→1.9 Å / Redundancy: 4.8 % / Rmerge(I) obs: 0.561 / Mean I/σ(I) obs: 2.9 / Num. unique obs: 2089 / Rpim(I) all: 0.206 / % possible all: 92.2 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS Starting model: 4o4T Resolution: 1.95→44.01 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.933 / SU B: 4.353 / SU ML: 0.125 / Cross valid method: THROUGHOUT / ESU R: 0.185 / ESU R Free: 0.178 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 38.248 Å2
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Refinement step | Cycle: 1 / Resolution: 1.95→44.01 Å
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Refine LS restraints |
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