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Open data
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Basic information
Entry | Database: PDB / ID: 8jyt | ||||||
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Title | Ancestral imine reducatase N560 | ||||||
![]() | ancestra imine reductase | ||||||
![]() | DE NOVO PROTEIN / ancestral sequence reconstruction / imine reductase | ||||||
Function / homology | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE![]() | ||||||
Biological species | synthetic construct (others) | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Zhu, X.X. | ||||||
Funding support | ![]()
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![]() | ![]() Title: The structure of ancestral imine reductase N560. Authors: Zhu, X.X. / Zheng, G.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 397.2 KB | Display | ![]() |
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PDB format | ![]() | 328.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.7 MB | Display | ![]() |
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Full document | ![]() | 1.7 MB | Display | |
Data in XML | ![]() | 46 KB | Display | |
Data in CIF | ![]() | 63.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | Similarity search - Function & homology ![]() |
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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: 31395.188 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) Production host: ![]() ![]() #2: Chemical | ChemComp-NAP / #3: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.48 Å3/Da / Density % sol: 50.47 % |
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Crystal grow | Temperature: 291.15 K / Method: vapor diffusion, sitting drop / Details: Calcium chloride dihydrate, sodium acetate, MPD |
-Data collection
Diffraction | Mean temperature: 77.36 K / Ambient temp details: -196 / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 21, 2023 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97853 Å / Relative weight: 1 |
Reflection | Resolution: 1.79→32.99 Å / Num. obs: 110068 / % possible obs: 96.6 % / Redundancy: 3.5 % / CC1/2: 0.999 / Rmerge(I) obs: 0.032 / Rpim(I) all: 0.02 / Rrim(I) all: 0.038 / Χ2: 0.93 / Net I/σ(I): 15.8 / Num. measured all: 387555 |
Reflection shell | Resolution: 1.79→1.84 Å / % possible obs: 95.2 % / Redundancy: 3.2 % / Rmerge(I) obs: 0.625 / Num. measured all: 25409 / Num. unique obs: 7994 / CC1/2: 0.823 / Rpim(I) all: 0.42 / Rrim(I) all: 0.758 / Χ2: 0.86 / Net I/σ(I) obs: 1.7 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.79→27.79 Å
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Refine LS restraints |
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LS refinement shell |
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