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- PDB-1i2w: BETA-LACTAMASE FROM BACILLUS LICHENIFORMIS BS3 COMPLEXED WITH CEF... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1i2w | |||||||||
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Title | BETA-LACTAMASE FROM BACILLUS LICHENIFORMIS BS3 COMPLEXED WITH CEFOXITIN | |||||||||
![]() | BETA-LACTAMASE![]() | |||||||||
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Function / homology | ![]() beta-lactam antibiotic catabolic process / ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Fonze, E. / Vanhove, M. / Dive, G. / Sauvage, E. / Frere, J.M. / Charlier, P. | |||||||||
![]() | ![]() Title: Crystal structures of the Bacillus licheniformis BS3 class A beta-lactamase and of the acyl-enzyme adduct formed with cefoxitin Authors: Fonze, E. / Vanhove, M. / Dive, G. / Sauvage, E. / Frere, J.M. / Charlier, P. #1: ![]() Title: Unexpected influence of a C-terminal-fused His-tag on the processing of an enzyme and on the kinetic and folding parameters Authors: Ledent, P. / Duez, C. / Vanhove, M. / Lejeune, A. / Fonze, E. / Charlier, P. / Rhazi-Filali, F. / Thamm, I. / Guillaume, G. / Samyn, B. / Devreese, B. / Van Beeumen, J. / Lamotte-Brasseur, J. / Frere, J.M. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 111.5 KB | Display | ![]() |
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PDB format | ![]() | 89.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Details | The biological assembly is a dimer |
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Components
#1: Protein | ![]() Mass: 31286.123 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() ![]() #2: Chemical | ![]() #3: Chemical | ChemComp-OUT / | ![]() #4: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.56 Å3/Da / Density % sol: 52 % | ||||||||||||||||||||||||
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5 Details: PEG 6000, sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K | ||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 20 ℃ | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 288 K |
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Diffraction source | Source: ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Oct 22, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.654→22.029 Å / Num. all: 68766 / Num. obs: 68766 / % possible obs: 91.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 2.1 % / Biso Wilson estimate: 23.1 Å2 / Rmerge(I) obs: 0.069 / Net I/σ(I): 5.4 |
Reflection shell | Resolution: 1.654→1.7 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.67 / % possible all: 75.2 |
Reflection | *PLUS Highest resolution: 1.65 Å / Lowest resolution: 22.03 Å / Num. measured all: 143995 / Rmerge(I) obs: 0.072 |
Reflection shell | *PLUS Highest resolution: 1.65 Å / Lowest resolution: 1.97 Å / % possible obs: 87.1 % / Num. unique obs: 26718 / Num. measured obs: 54861 / Rmerge(I) obs: 0.43 / Mean I/σ(I) obs: 2.1 |
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Processing
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Refinement | Method to determine structure![]() ![]()
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Displacement parameters | Biso mean: 25.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.7→8 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.7→1.76 Å / Rfactor Rfree error: 0.025 / Total num. of bins used: 10
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Software | *PLUS Name: X-PLOR(ONLINE) / Version: 3.851 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 1.7 Å / Lowest resolution: 8 Å / σ(F): 2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.438 / % reflection Rfree: 5.2 % / Rfactor Rwork: 0.44 |