+Open data
-Basic information
Entry | Database: PDB / ID: 4qlw | ||||||
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Title | Azurin mutant M121E with iron | ||||||
Components | Azurin | ||||||
Keywords | ELECTRON TRANSPORT / azurin / M121E / iron | ||||||
Function / homology | Function and homology information transition metal ion binding / periplasmic space / electron transfer activity / copper ion binding / zinc ion binding / identical protein binding Similarity search - Function | ||||||
Biological species | Pseudomonas aeruginosa (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Liu, J. / Robinson, H. / Lu, Y. | ||||||
Citation | Journal: J.Am.Chem.Soc. / Year: 2014 Title: Redesigning the Blue Copper Azurin into a Redox-Active Mononuclear Nonheme Iron Protein: Preparation and Study of Fe(II)-M121E Azurin. Authors: Liu, J. / Meier, K.K. / Tian, S. / Zhang, J.L. / Guo, H. / Schulz, C.E. / Robinson, H. / Nilges, M.J. / Munck, E. / Lu, Y. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4qlw.cif.gz | 107.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4qlw.ent.gz | 89.2 KB | Display | PDB format |
PDBx/mmJSON format | 4qlw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ql/4qlw ftp://data.pdbj.org/pub/pdb/validation_reports/ql/4qlw | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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Unit cell |
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-Components
#1: Protein | Mass: 13959.717 Da / Num. of mol.: 4 / Mutation: M121E Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Strain: ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228 / Gene: azu, PA4922 / Production host: Escherichia coli (E. coli) / References: UniProt: P00282 #2: Chemical | #3: Chemical | ChemComp-NO3 / #4: Chemical | #5: 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: 2.23 Å3/Da / Density % sol: 44.75 % |
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Crystal grow | Temperature: 278 K / Method: vapor diffusion, hanging drop / pH: 5.3 Details: (NH4)2SO4 (3.25 M), LiNO3 (0.1 M), NaOAc (0.1 M), pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X29A / Wavelength: 1.075 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Nov 1, 2011 |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.075 Å / Relative weight: 1 |
Reflection | Resolution: 2→46.38 Å / Num. all: 32795 / Num. obs: 32211 / % possible obs: 98.22 % / Observed criterion σ(I): -3 |
Reflection shell | Resolution: 2→2.07 Å / % possible all: 99.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2→46.38 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.918 / SU B: 4.62 / SU ML: 0.131 / Cross valid method: THROUGHOUT / ESU R: 0.214 / ESU R Free: 0.191 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 32.688 Å2
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Refinement step | Cycle: LAST / Resolution: 2→46.38 Å
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Refine LS restraints |
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