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Open data
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Basic information
Entry | Database: PDB / ID: 6j82 | ||||||
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Title | Crystal structure of TleB apo | ||||||
![]() | Cytochrome P-450 | ||||||
![]() | OXIDOREDUCTASE / P450 / indolactam / oxidation | ||||||
Function / homology | ![]() cholest-4-en-3-one 26-monooxygenase activity / steroid hydroxylase activity / cholesterol catabolic process / iron ion binding / heme binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Alblova, M. / Nakamura, H. / Mori, T. / Abe, I. | ||||||
![]() | ![]() Title: Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis. Authors: He, F. / Mori, T. / Morita, I. / Nakamura, H. / Alblova, M. / Hoshino, S. / Awakawa, T. / Abe, I. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 100.1 KB | Display | ![]() |
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PDB format | ![]() | 73 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 787.3 KB | Display | ![]() |
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Full document | ![]() | 789.3 KB | Display | |
Data in XML | ![]() | 18 KB | Display | |
Data in CIF | ![]() | 26.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6j83C ![]() 6j84C ![]() 6j85C ![]() 6j86C ![]() 6j87C ![]() 6j88C ![]() 3wvsS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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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: 47020.559 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-HEM / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.02 Å3/Da / Density % sol: 39.24 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 100 mM MES (pH 6.0) containing 1600 mM Na/Ka tartrate and 5% 1, 4-dioxane |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 270 / Detector: CCD / Date: Feb 24, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→47.05 Å / Num. obs: 20062 / % possible obs: 99.8 % / Redundancy: 7.2 % / CC1/2: 0.997 / Rmerge(I) obs: 0.118 / Net I/σ(I): 14.9 |
Reflection shell | Resolution: 2.2→2.27 Å / Redundancy: 7.2 % / Rmerge(I) obs: 0.614 / Mean I/σ(I) obs: 3.4 / Num. unique obs: 1650 / CC1/2: 0.866 / % possible all: 97.6 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3WVS Resolution: 2.202→47.048 Å / SU ML: 0.24 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 22.78
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.202→47.048 Å
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Refine LS restraints |
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LS refinement shell |
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