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Open data
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Basic information
Entry | Database: PDB / ID: 5ct4 | ||||||
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Title | Wild-type Bacillus subtilis lipase A with 5% [BMIM][Cl] | ||||||
![]() | Esterase | ||||||
![]() | HYDROLASE | ||||||
Function / homology | ![]() lipase activity / triacylglycerol lipase / triacylglycerol lipase activity / lipid catabolic process / extracellular region Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Nordwald, E.M. / Plaks, J.G. / Snell, J.R. / Sousa, M.C. / Kaar, J.L. | ||||||
![]() | ![]() Title: Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure. Authors: Nordwald, E.M. / Plaks, J.G. / Snell, J.R. / Sousa, M.C. / Kaar, J.L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 236.6 KB | Display | ![]() |
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PDB format | ![]() | 194.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 447.2 KB | Display | ![]() |
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Full document | ![]() | 449.1 KB | Display | |
Data in XML | ![]() | 20.7 KB | Display | |
Data in CIF | ![]() | 31.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5criC ![]() 5ct5C ![]() 5ct6C ![]() 5ct8C ![]() 5ct9C ![]() 5ctaC ![]() 5curC 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 19311.758 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: I6V559, UniProt: P37957*PLUS, triacylglycerol lipase #2: Chemical | #3: Chemical | #4: Chemical | ChemComp-CL / | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.03 Å3/Da / Density % sol: 39.53 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop Details: 35 % PEG 3350, 20 mM NaSO4, 0.1M ethanolamine, 10mM ZnCl2, pH 9.5 Temp details: Room temp |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 13, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9999 Å / Relative weight: 1 |
Reflection | Resolution: 1.49→39.4 Å / Num. obs: 52595 / % possible obs: 99.4 % / Redundancy: 3.5 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 16.9 |
Reflection shell | Resolution: 1.49→1.57 Å / Redundancy: 3.3 % / Rmerge(I) obs: 0.126 / Mean I/σ(I) obs: 7.2 / % possible all: 96.9 |
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Processing
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Refinement | Resolution: 1.49→39.4 Å / SU ML: 0.15 / Cross valid method: FREE R-VALUE / Phase error: 13.02 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 36.006 Å2 / ksol: 0.33 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 1.49→39.4 Å
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Refine LS restraints |
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LS refinement shell |
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