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Open data
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Basic information
Entry | Database: PDB / ID: 7wcc | ||||||
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Title | Oxidase ChaP-D49L/Q91C mutant | ||||||
![]() | ChaP | ||||||
![]() | BIOSYNTHETIC PROTEIN / ChaP / Oxidative Rearrangement Steps / Mycobacterium tuberculosis | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Sun, M.X. / Zheng, W. / Wang, Y.S. / Zhu, J.P. / Tan, R.X. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Oxidase ChaP-D49L/Q91C mutant Authors: Sun, M.X. / Zheng, W. / Wang, Y.S. / Zhu, J.P. / Tan, R.X. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 217.4 KB | Display | ![]() |
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PDB format | ![]() | 173.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.8 MB | Display | ![]() |
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Full document | ![]() | 2.8 MB | Display | |
Data in XML | ![]() | 26.4 KB | Display | |
Data in CIF | ![]() | 38.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6a4zS S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 14416.248 Da / Num. of mol.: 4 / Mutation: D49L,Y109F Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-FE / #3: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.47 Å3/Da / Density % sol: 50.13 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion Details: Magnesium chloride hexahydrate, Calcium chloride dihygrate, Tris(base), BICINE, MPD, PEG 1000, PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 2, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9793 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→28.88 Å / Num. obs: 90164 / % possible obs: 99.9 % / Redundancy: 5.9 % / CC1/2: 0.99 / Net I/σ(I): 8.4 |
Reflection shell | Resolution: 1.5→1.53 Å / Num. unique obs: 2256 / CC1/2: 0.762 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6A4Z Resolution: 1.5→28.88 Å / SU ML: 0.15 / Cross valid method: THROUGHOUT / σ(F): 1.61 / Phase error: 22.79 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.5→28.88 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: 4.7703 Å / Origin y: -18.3422 Å / Origin z: 35.8983 Å
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Refinement TLS group | Selection details: all |