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- PDB-3owu: Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F8... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3owu | ||||||
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Title | Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida with Bound Equilenin | ||||||
![]() | Steroid Delta-isomerase![]() | ||||||
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Function / homology | ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Sigala, P.A. / Fenn, T.D. / Herschlag, D. | ||||||
![]() | ![]() Title: Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase. Authors: Fafarman, A.T. / Sigala, P.A. / Schwans, J.P. / Fenn, T.D. / Herschlag, D. / Boxer, S.G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 218.3 KB | Display | ![]() |
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PDB format | ![]() | 175.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 3owyC ![]() 3ox9C ![]() 3oxaC ![]() 2pzvS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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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: 14480.298 Da / Num. of mol.: 4 / Mutation: D40N, C69S, C81S, F86(XCN), C97S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-EQU / ![]() #3: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.12 Å3/Da / Density % sol: 41.95 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.2 Details: 1.1 M ammonium sulfate, 5% isopropanol, 40 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 2, 2007 |
Radiation | Monochromator: Double crystal, Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.7→36.14 Å / Num. all: 52609 / Num. obs: 32425 / % possible obs: 62 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Biso Wilson estimate: 20.26 Å2 |
Reflection shell | Resolution: 1.7→1.76 Å / % possible all: 2 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB entry 2PZV Resolution: 1.7→36.14 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.682 / SU ML: 1.5 / Cross valid method: THROUGHOUT / σ(F): 0.03 / 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 / Bsol: 54.163 Å2 / ksol: 0.398 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 134.24 Å2 / Biso mean: 45.2354 Å2 / Biso min: 16.38 Å2
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Refinement step | Cycle: LAST / Resolution: 1.7→36.14 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 11
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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