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- PDB-8j4l: X-ray crystal structure of F46C myoglobin with a covalently linke... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8j4l | ||||||
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Title | X-ray crystal structure of F46C myoglobin with a covalently linked triazole group | ||||||
![]() | Myoglobin![]() | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Yuan, H. / Lin, Y.W. | ||||||
Funding support | ![]()
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![]() | ![]() Title: X-ray crystal structure of F46C myoglobin with a covalently linked triazole group Authors: Yuan, H. / Lin, Y.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 97.8 KB | Display | ![]() |
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PDB format | ![]() | 64 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | ![]() Mass: 17322.117 Da / Num. of mol.: 1 / Mutation: F46C Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-HEM / ![]() |
#3: Chemical | ChemComp-EBJ / |
#4: Water | ChemComp-HOH / ![]() |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 44.13 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: PEG8000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER2 S 9M / Detector: PIXEL / Date: Dec 16, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.45→50 Å / Num. obs: 27514 / % possible obs: 98.84 % / Redundancy: 8.9 % / Biso Wilson estimate: 12.71 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.091 / Rpim(I) all: 0.031 / Net I/σ(I): 14.48 |
Reflection shell | Resolution: 1.45→1.5 Å / Rmerge(I) obs: 0.3441 / Mean I/σ(I) obs: 3.76 / Num. unique obs: 2442 / CC1/2: 0.92 / Rpim(I) all: 0.1532 / % possible all: 89.35 |
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Processing
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Refinement | Method to determine structure![]() ![]() Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 17.26 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.45→31.23 Å
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Refine LS restraints |
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LS refinement shell |
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