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Yorodumi- PDB-5jru: Crystal structure of Fe(II) unliganded H-NOX protein from C. subt... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5jru | ||||||
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Title | Crystal structure of Fe(II) unliganded H-NOX protein from C. subterraneus | ||||||
Components | Methyl-accepting chemotaxis proteinMethyl-accepting chemotaxis proteins | ||||||
Keywords | SIGNALING PROTEIN / Heme-based methyl-accepting chemotaxis protein Gas binding Signaling protein | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Caldanaerobacter subterraneus subsp. tengcongensis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.305 Å | ||||||
Authors | Bruegger, J. / Hespen, C. / Phillips-Piro, C.M. / Marletta, M.A. | ||||||
Citation | Journal: Acs Chem.Biol. / Year: 2016 Title: Structural and Functional Evidence Indicates Selective Oxygen Signaling in Caldanaerobacter subterraneus H-NOX. Authors: Hespen, C.W. / Bruegger, J.J. / Phillips-Piro, C.M. / Marletta, M.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5jru.cif.gz | 248.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5jru.ent.gz | 201.7 KB | Display | PDB format |
PDBx/mmJSON format | 5jru.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jr/5jru ftp://data.pdbj.org/pub/pdb/validation_reports/jr/5jru | HTTPS FTP |
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-Related structure data
Related structure data | 5jrvC 5jrxC 3lahS 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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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 22047.502 Da / Num. of mol.: 6 / Fragment: UNP residues 1-188 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Caldanaerobacter subterraneus subsp. tengcongensis (strain DSM 15242 / JCM 11007 / NBRC 100824 / MB4) (bacteria) Strain: DSM 15242 / JCM 11007 / NBRC 100824 / MB4 / Gene: Tar4, TTE0680 / Production host: Escherichia coli (E. coli) / Strain (production host): RP523 (DE3) / References: UniProt: Q8RBX6 #2: Chemical | ChemComp-HEM / #3: 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: 2.41 Å3/Da / Density % sol: 48.96 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: Anaerobically grown under Argon. 30 mg/mL protein with well condition of 0.1 M NaI, 22% PEG 3350. |
-Data collection
Diffraction | Mean temperature: 80 K / Ambient temp details: Under liquid nitrogen cryostream |
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 0.99994 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 1, 2014 |
Radiation | Monochromator: Double crystal, Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.99994 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→44.92 Å / Num. obs: 55562 / % possible obs: 99.7 % / Redundancy: 2.01 % / Biso Wilson estimate: 28.6 Å2 / CC1/2: 0.968 / Rsym value: 0.18 / Net I/σ(I): 17.12 |
Reflection shell | Resolution: 2.3→2.34 Å / Mean I/σ(I) obs: 4.8 / % possible all: 96.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3LAH Resolution: 2.305→44.919 Å / SU ML: 0.32 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.07
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.305→44.919 Å
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Refine LS restraints |
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LS refinement shell |
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