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- PDB-3lax: The crystal structure of a domain of phenylacetate-coenzyme A lig... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3lax | |||||||||
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Title | The crystal structure of a domain of phenylacetate-coenzyme A ligase from Bacteroides vulgatus ATCC 8482 | |||||||||
![]() | Phenylacetate-coenzyme A ligase | |||||||||
![]() | LIGASE / structural genomics / PSI-2 / protein structure initiative / midwest center for structural genomics / MCSG | |||||||||
Function / homology | ![]() phenylacetate-CoA ligase / phenylacetate-CoA ligase activity / phenylacetate catabolic process / nucleotide binding Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Tan, K. / Wu, R. / Cobb, G. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG) | |||||||||
![]() | ![]() Title: The crystal structure of a domain of phenylacetate-coenzyme A ligase from Bacteroides vulgatus ATCC 8482 Authors: Tan, K. / Wu, R. / Cobb, G. / Joachimiak, A. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 57.5 KB | Display | ![]() |
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PDB format | ![]() | 46.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 431.1 KB | Display | ![]() |
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Full document | ![]() | 434.7 KB | Display | |
Data in XML | ![]() | 7.7 KB | Display | |
Data in CIF | ![]() | 10 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
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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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Details | Experimentally unknown. The domain is likely a monomer. |
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Components
#1: Protein | Mass: 12473.078 Da / Num. of mol.: 1 / Fragment: residues 327-432 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.03 Å3/Da / Density % sol: 39.31 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 0.2M Ammonium acetate, 0.1M HEPES, 45% w/v MPD, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 21, 2008 / Details: mirror |
Radiation | Monochromator: Si 111 crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97926 Å / Relative weight: 1 |
Reflection | Resolution: 1.428→37 Å / Num. all: 19292 / Num. obs: 19292 / % possible obs: 98.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 6.3 % / Rmerge(I) obs: 0.075 / Net I/σ(I): 39.7 |
Reflection shell | Resolution: 1.43→1.45 Å / Redundancy: 5.3 % / Rmerge(I) obs: 0.709 / Mean I/σ(I) obs: 1.96 / Num. unique all: 914 / % possible all: 96 |
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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: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 60.164 Å2 / ksol: 0.392 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.428→30.187 Å
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Refine LS restraints |
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LS refinement shell |
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