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- PDB-5yx4: Isoliquiritigenin-complexed Chalcone isomerase (S189A) from the A... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5yx4 | ||||||
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Title | Isoliquiritigenin-complexed Chalcone isomerase (S189A) from the Antarctic vascular plant Deschampsia Antarctica (DaCHI1) | ||||||
![]() | Chalcone-flavonone isomerase family protein | ||||||
![]() | ISOMERASE / Chalcone isomerase / Deschampsia antarctica | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Lee, C.W. / Park, S. / Lee, J.H. | ||||||
![]() | ![]() Title: Crystal structure and enzymatic properties of chalcone isomerase from the Antarctic vascular plant Deschampsia antarctica Desv. Authors: Park, S.H. / Lee, C.W. / Cho, S.M. / Lee, H. / Park, H. / Lee, J. / Lee, J.H. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 62.6 KB | Display | ![]() |
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PDB format | ![]() | 44.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 667.8 KB | Display | ![]() |
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Full document | ![]() | 668.2 KB | Display | |
Data in XML | ![]() | 13.2 KB | Display | |
Data in CIF | ![]() | 19.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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: 24074.264 Da / Num. of mol.: 1 / Mutation: S189A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: CHI1 / Production host: ![]() ![]() |
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#2: Chemical | ChemComp-HCC / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.87 Å3/Da / Density % sol: 68.19 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.2 Details: 0.076 M sodium phosphate dibasic, 1.152 M potassium phosphate dibasic (pH 8.2) |
-Data collection
Diffraction | Mean temperature: 200 K |
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Diffraction source | Source: ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Oct 10, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→50 Å / Num. obs: 22153 / % possible obs: 99.5 % / Redundancy: 8.9 % / Net I/σ(I): 40.4 |
Reflection shell | Resolution: 2.1→2.14 Å |
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Processing
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Refinement | Resolution: 2.1→41.61 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.949 / SU B: 4.335 / SU ML: 0.112 / Cross valid method: THROUGHOUT / ESU R: 0.154 / ESU R Free: 0.147 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 54.014 Å2
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Refinement step | Cycle: 1 / Resolution: 2.1→41.61 Å
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Refine LS restraints |
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