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Open data
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Basic information
Entry | Database: PDB / ID: 4mfh | ||||||
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Title | Crystal Structure of M121G Azurin | ||||||
![]() | Azurin | ||||||
![]() | ELECTRON TRANSPORT / Greek Key beta-Barrel / Electron transfer / Periplasmic | ||||||
Function / homology | ![]() transition metal ion binding / periplasmic space / electron transfer activity / copper ion binding / zinc ion binding / identical protein binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Tian, S. / Lu, Y. | ||||||
![]() | ![]() Title: Copper-sulfenate complex from oxidation of a cavity mutant of Pseudomonas aeruginosa azurin. Authors: Sieracki, N.A. / Tian, S. / Hadt, R.G. / Zhang, J.L. / Woertink, J.S. / Nilges, M.J. / Sun, F. / Solomon, E.I. / Lu, Y. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 88.6 KB | Display | ![]() |
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PDB format | ![]() | 71.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 451.1 KB | Display | ![]() |
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Full document | ![]() | 452.8 KB | Display | |
Data in XML | ![]() | 20 KB | Display | |
Data in CIF | ![]() | 29.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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3 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 13887.655 Da / Num. of mol.: 3 / Mutation: M121G Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-CU / #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.37 Å3/Da / Density % sol: 48.04 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 2 UL droplet containing 1 UL apo-M121G azurin (1.3 mM) in 100 mM NaOAc pH 5.6 buffer and 1 UL PEG buffer (25% PEG 4000 containing 100 mM LiNO3, 10 mM CuSO4 and 100 mM Tris pH 8.0) above 250 ...Details: 2 UL droplet containing 1 UL apo-M121G azurin (1.3 mM) in 100 mM NaOAc pH 5.6 buffer and 1 UL PEG buffer (25% PEG 4000 containing 100 mM LiNO3, 10 mM CuSO4 and 100 mM Tris pH 8.0) above 250 UL well buffer (25% PEG 4000 containing 100 mM LiNO3 10 mM CuSO4 and 100 mM Tris pH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 5, 2012 |
Radiation | Monochromator: C(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97872 Å / Relative weight: 1 |
Reflection | Resolution: 1.54→50 Å / Num. all: 58662 / Num. obs: 53091 / % possible obs: 90.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 6.8 % / Rmerge(I) obs: 0.069 |
Reflection shell | Resolution: 1.54→1.57 Å / Redundancy: 6.5 % / Rmerge(I) obs: 0.376 / % possible all: 91.1 |
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Processing
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Refinement | Method to determine structure: ![]()
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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: 12.667 Å2
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Refinement step | Cycle: LAST / Resolution: 1.54→29.15 Å
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Refine LS restraints |
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