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- PDB-5wks: Crystal structure of chalcone isomerase engineered from ancestral... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5wks | ||||||
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Title | Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancR1) | ||||||
![]() | Engineered Chalcone Isomerase ancR1 | ||||||
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Function / homology | ![]() 10k-s Protein, Hypothetical Protein A; Chain A - #20 / Chalcone isomerase - #10 / ![]() Similarity search - Domain/homology | ||||||
Biological species | unidentified (others) | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Burke, J.R. / Kaltenbach, M. / Tawfik, D.S. / Noel, J.P. | ||||||
![]() | ![]() Title: Evolution of chalcone isomerase from a noncatalytic ancestor. Authors: Kaltenbach, M. / Burke, J.R. / Dindo, M. / Pabis, A. / Munsberg, F.S. / Rabin, A. / Kamerlin, S.C.L. / Noel, J.P. / Tawfik, D.S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 202.7 KB | Display | ![]() |
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PDB format | ![]() | 161.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 5wkrC ![]() 5wl3C ![]() 5wl4C ![]() 5wl5C ![]() 5wl6C ![]() 5wl7C ![]() 5wl8C ![]() 4doiS 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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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 23933.074 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) unidentified (others) / Production host: ![]() ![]() ![]() #2: Chemical | ChemComp-NAR / | ![]() #3: Chemical | ![]() #4: Chemical | ChemComp-MPD / ( | ![]() #5: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.58 Å3/Da / Density % sol: 52.28 % |
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Crystal grow![]() | Temperature: 277 K / Method: vapor diffusion, hanging drop / Details: 42%MPD, 50mM acetic acid |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Oct 15, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.5→33.34 Å / Num. obs: 79600 / % possible obs: 99.6 % / Redundancy: 9.8 % / Net I/σ(I): 12.8 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB:4DOI Resolution: 1.5→33.34 Å / SU ML: 0.12 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 17.6
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.5→33.34 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: -3.7138 Å / Origin y: -26.3736 Å / Origin z: 8.5676 Å
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Refinement TLS group | Selection details: all |