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Yorodumi- PDB-4u9b: Crystal structure of an H-NOX protein from S. oneidensis in the F... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4u9b | ||||||
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Title | Crystal structure of an H-NOX protein from S. oneidensis in the Fe(II)NO ligation state | ||||||
Components | NO-binding heme-dependent sensor protein | ||||||
Keywords | SIGNALING PROTEIN / H-NOX / hemoprotein / gas sensor | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Shewanella oneidensis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.65 Å | ||||||
Authors | Herzik Jr., M.A. / Jonnalagadda, R. / Kuriyan, J. / Marletta, M.A. | ||||||
Funding support | United States, 1items
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Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2014 Title: Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins. Authors: Herzik, M.A. / Jonnalagadda, R. / Kuriyan, J. / 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 | 4u9b.cif.gz | 126.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4u9b.ent.gz | 98.9 KB | Display | PDB format |
PDBx/mmJSON format | 4u9b.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/u9/4u9b ftp://data.pdbj.org/pub/pdb/validation_reports/u9/4u9b | HTTPS FTP |
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-Related structure data
Related structure data | 4u99SC 4u9gC 4u9jC 4u9kC S: Starting model for refinement C: citing same article (ref.) |
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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
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 21329.447 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Shewanella oneidensis (bacteria) / Strain: MR-1 / Gene: SO_2144 / Plasmid: pET20 / Production host: Escherichia coli (E. coli) / Strain (production host): RP523(DE3) / References: UniProt: Q8EF49 |
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-Non-polymers , 6 types, 126 molecules
#2: Chemical | ChemComp-HEM / |
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#3: Chemical | ChemComp-NO / |
#4: Chemical | ChemComp-ZN / |
#5: Chemical | ChemComp-PO4 / |
#6: Chemical | ChemComp-GOL / |
#7: 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: 2.36 Å3/Da / Density % sol: 47.84 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: Obtained by equilibrating a 2 or 4 uL drop of 1:1 protein: reservoir against 700 uL reservoir containing 0.7 M NaH2PO4, 0.9 M K2HPO4. Cryoprotection was achieved by carefully adding equal ...Details: Obtained by equilibrating a 2 or 4 uL drop of 1:1 protein: reservoir against 700 uL reservoir containing 0.7 M NaH2PO4, 0.9 M K2HPO4. Cryoprotection was achieved by carefully adding equal drop volume of mother liquor containing 50% glycerol. Crystals were then transferred into mother liquor containing 30% glycerol and flash frozen in liquid nitrogen. All crystal growth and manipulation was performed anaerobically. |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 8.2.1 / Wavelength: 1.11 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jul 7, 2012 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.11 Å / Relative weight: 1 |
Reflection | Resolution: 1.65→33.818 Å / Num. all: 45550 / Num. obs: 45550 / % possible obs: 98.46 % / Redundancy: 3.9 % / Rmerge(I) obs: 0.029 / Net I/σ(I): 14.4 |
Reflection shell | Resolution: 1.65→1.74 Å / Redundancy: 3.3 % / Rmerge(I) obs: 0.487 / Mean I/σ(I) obs: 1.7 / % possible all: 99.5 |
-Processing
Software | Name: PHENIX / Version: (phenix.refine: 1.9_1692) / Classification: refinement | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4U99 Resolution: 1.65→33.818 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 22.91 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.6 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.65→33.818 Å
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Refine LS restraints |
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LS refinement shell |
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