+Open data
-Basic information
Entry | Database: PDB / ID: 3ell | ||||||
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Title | Structure of the hemophore from Pseudomonas aeruginosa (HasAp) | ||||||
Components | HasAp (Heme acquisition protein HasAp) | ||||||
Keywords | HEME BINDING PROTEIN / alpha beta protein / heme-binding protein | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Pseudomonas aeruginosa (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.7 Å | ||||||
Authors | Schonbrunn, E. / Rivera, M. | ||||||
Citation | Journal: Biochemistry / Year: 2009 Title: Structural characterization of the hemophore HasAp from Pseudomonas aeruginosa: NMR spectroscopy reveals protein-protein interactions between Holo-HasAp and hemoglobin. Authors: Alontaga, A.Y. / Rodriguez, J.C. / Schonbrunn, E. / Becker, A. / Funke, T. / Yukl, E.T. / Hayashi, T. / Stobaugh, J. / Moenne-Loccoz, P. / Rivera, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3ell.cif.gz | 87 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3ell.ent.gz | 65 KB | Display | PDB format |
PDBx/mmJSON format | 3ell.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/el/3ell ftp://data.pdbj.org/pub/pdb/validation_reports/el/3ell | HTTPS FTP |
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-Related structure data
Related structure data | 1b2vS 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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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 18901.535 Da / Num. of mol.: 2 / Fragment: HasAp (UNP residues 1 - 184) Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Gene: hasAp, PA3407 / Plasmid: pET11a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21-GOLD (DE3) / References: UniProt: O69756 #2: Chemical | #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: 2.45 Å3/Da / Density % sol: 49.9 % |
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Crystal grow | Temperature: 296 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 100 mM MES buffer (pH 6.0), 100 mM NH4Cl, and 80% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
-Data collection
Diffraction | Mean temperature: 93 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU RAXIS HTC / Detector: IMAGE PLATE / Date: Oct 1, 2007 / Details: mirrors |
Radiation | Monochromator: mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→20 Å / Num. all: 36833 / Num. obs: 36833 / % possible obs: 93.1 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 2.2 % / Rmerge(I) obs: 0.031 / Net I/σ(I): 22.2 |
Reflection shell | Resolution: 1.7→1.8 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.063 / Mean I/σ(I) obs: 12.7 / Num. unique all: 5430 / % possible all: 87.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 1B2V Resolution: 1.7→20 Å / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): -3 / Stereochemistry target values: Engh & Huber
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.7→20 Å
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Refine LS restraints |
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