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- PDB-6oyv: Structure of an ancestral-reconstructed cytochrome P450 1B1 with ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6oyv | ||||||
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Title | Structure of an ancestral-reconstructed cytochrome P450 1B1 with estradiol | ||||||
![]() | Cytochrome P450 1B1 | ||||||
![]() | OXIDOREDUCTASE / CYP1B1 / ancestral reconstruction / mammalian | ||||||
Function / homology | Cytochrome p450 / Cytochrome P450 / Orthogonal Bundle / Mainly Alpha / ESTRADIOL / PROTOPORPHYRIN IX CONTAINING FE![]() | ||||||
Biological species | synthetic construct (others) | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Bart, A.G. / Scott, E.E. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability. Authors: Bart, A.G. / Harris, K.L. / Gillam, E.M.J. / Scott, E.E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 347.3 KB | Display | ![]() |
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PDB format | ![]() | 285.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.4 MB | Display | ![]() |
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Full document | ![]() | 1.5 MB | Display | |
Data in XML | ![]() | 32.7 KB | Display | |
Data in CIF | ![]() | 43.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6oyuSC 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 55349.980 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Production host: ![]() ![]() #2: Chemical | #3: Chemical | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.07 Å3/Da / Density % sol: 59.94 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 1 M sodium citrate tribasic, 0.1 M tris/HCl pH 7.0, 0.2 M NaCl |
-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: Jan 14, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 3.1→38.27 Å / Num. obs: 22678 / % possible obs: 99.9 % / Redundancy: 6.8 % / Biso Wilson estimate: 106.18 Å2 / CC1/2: 0.998 / Rpim(I) all: 0.047 / Net I/σ(I): 10.4 |
Reflection shell | Resolution: 3.1→3.31 Å / Mean I/σ(I) obs: 1.2 / Num. unique obs: 4085 / CC1/2: 0.688 / Rpim(I) all: 0.883 / % possible all: 97.6 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6OYU Resolution: 3.101→38.269 Å / SU ML: 0.42 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 34.49
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.101→38.269 Å
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Refine LS restraints |
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LS refinement shell |
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