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- PDB-7qjn: Crystal structure of an alpha/beta-hydrolase enzyme from Candidat... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7qjn | ||||||
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Title | Crystal structure of an alpha/beta-hydrolase enzyme from Candidatus Kryptobacter tengchongensis (306) | ||||||
![]() | Dienelactone hydrolase | ||||||
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Function / homology | Dienelactone hydrolase / Dienelactone hydrolase family / ![]() ![]() ![]() ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Zahn, M. / Gill, R.S. / Erickson, E. / Beckham, G.T. / McGeehan, J.E. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity Authors: Erickson, E. / Gado, J.E. / Avilan, L. / Bratti, F. / Brizendine, R.K. / Cox, P.A. / Gill, R. / Graham, R. / Kim, D.J. / Konig, G. / Michener, W.E. / Poudel, S. / Ramirez, K.J. / ...Authors: Erickson, E. / Gado, J.E. / Avilan, L. / Bratti, F. / Brizendine, R.K. / Cox, P.A. / Gill, R. / Graham, R. / Kim, D.J. / Konig, G. / Michener, W.E. / Poudel, S. / Ramirez, K.J. / Shakespeare, T.J. / Zahn, M. / Boyd, E.S. / Payne, C.M. / DuBois, J.L. / Pickford, A.R. / Beckham, G.T. / McGeehan, J.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 | ![]() | 127.4 KB | Display | ![]() |
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PDB format | ![]() | 98.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7qjmC ![]() 7qjoC ![]() 7qjpC ![]() 7qjqC ![]() 7qjrC ![]() 7qjsC ![]() 7qjtC C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 33135.820 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: alpha/beta-hydrolase Source: (gene. exp.) ![]() Gene: JGI24_00892 / Production host: ![]() ![]() ![]() | ||||
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#2: Chemical | ![]() #3: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.85 Å3/Da / Density % sol: 56.82 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 1.8 M sodium phosphate monobasic monohydrate / potassium phosphate dibasic pH 5.0 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Jul 11, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.89→64.88 Å / Num. obs: 14490 / % possible obs: 93.7 % / Redundancy: 17.7 % / CC1/2: 0.999 / Rmerge(I) obs: 0.135 / Rpim(I) all: 0.033 / Net I/σ(I): 14.8 |
Reflection shell | Resolution: 1.89→2.12 Å / Rmerge(I) obs: 1.841 / Mean I/σ(I) obs: 1.7 / Num. unique obs: 724 / CC1/2: 0.634 / Rpim(I) all: 0.465 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: alphafold model Resolution: 1.885→56.69 Å / Cor.coef. Fo:Fc: 0.921 / Cor.coef. Fo:Fc free: 0.885 / SU R Cruickshank DPI: 0.336 / Cross valid method: THROUGHOUT / SU R Blow DPI: 0.347 / SU Rfree Blow DPI: 0.244 / SU Rfree Cruickshank DPI: 0.244
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Displacement parameters | Biso mean: 41.34 Å2
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Refine analyze | Luzzati coordinate error obs: 0.33 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.885→56.69 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.89→2.05 Å
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Refinement TLS params. | Origin x: -3.9748 Å / Origin y: -32.1109 Å / Origin z: -11.6147 Å
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Refinement TLS group |
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