+Open data
-Basic information
Entry | Database: PDB / ID: 5cri | ||||||
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Title | Wild-type Bacillus subtilis lipase A with 0% [BMIM][Cl] | ||||||
Components | Esterase | ||||||
Keywords | HYDROLASE / wild-type | ||||||
Function / homology | Function and homology information lipase activity / triacylglycerol lipase / triglyceride lipase activity / lipid catabolic process / extracellular region Similarity search - Function | ||||||
Biological species | Bacillus subtilis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.63 Å | ||||||
Authors | Nordwald, E.M. / Plaks, J.G. / Snell, J.R. / Sousa, M.C. / Kaar, J.L. | ||||||
Citation | Journal: Chembiochem / Year: 2015 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: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5cri.cif.gz | 228.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5cri.ent.gz | 190.2 KB | Display | PDB format |
PDBx/mmJSON format | 5cri.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cr/5cri ftp://data.pdbj.org/pub/pdb/validation_reports/cr/5cri | HTTPS FTP |
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-Related structure data
Related structure data | 5ct4C 5ct5C 5ct6C 5ct8C 5ct9C 5ctaC 5curC C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 19382.836 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus subtilis (bacteria) / Gene: lipA, QX56_01625 / Plasmid: pET21b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) References: UniProt: I6V559, UniProt: P37957*PLUS, triacylglycerol lipase #2: Chemical | ChemComp-SO4 / #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 1.99 Å3/Da / Density % sol: 38.19 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 9.5 Details: 35 % PEG 3350, 0.1M ethanolamine, 20 mM NaSO4, 10 mM ZnCl2 Temp details: Room temperature |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH2R / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Oct 22, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.63→30.3 Å / Num. obs: 39315 / % possible obs: 99.7 % / Redundancy: 3.8 % / Rmerge(I) obs: 0.058 / Net I/σ(I): 15.2 |
Reflection shell | Resolution: 1.63→1.72 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.205 / Mean I/σ(I) obs: 4.7 / % possible all: 99.7 |
-Processing
Software |
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Refinement | Resolution: 1.63→24.421 Å / SU ML: 0.13 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 14.95 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.63→24.421 Å
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Refine LS restraints |
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LS refinement shell |
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