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- PDB-4qy6: Crystal structures of chimeric beta-lactamase cTEM-19m showing di... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4qy6 | ||||||
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Title | Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations | ||||||
![]() | Beta-lactamase TEM, Beta-lactamase PSE-4 | ||||||
![]() | HYDROLASE | ||||||
Function / homology | ![]() beta-lactam antibiotic catabolic process / beta-lactamase activity / beta-lactamase / response to antibiotic Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Park, J. / Gobeil, S. / Pelletier, J.N. / Berghuis, A.M. | ||||||
![]() | ![]() Title: Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations Authors: Park, J. / Gobeil, S. / Pelletier, J.N. / Berghuis, A.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 | ![]() | 147.8 KB | Display | ![]() |
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PDB format | ![]() | 115 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 4qy5C ![]() 4zg4S S: Starting model for refinement 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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Unit cell |
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Components
#1: Protein | Mass: 28827.830 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() Gene: bla, blaT-3, blaT-4, blaT-5, blaT-6, pse4, carB1 / Production host: ![]() ![]() References: UniProt: P62593, UniProt: P16897, beta-lactamase | ||||
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#2: Chemical | ChemComp-CL / #3: Chemical | ChemComp-MG / #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.06 Å3/Da / Density % sol: 40.4 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 30% PEG 4000, 0.2M magnesium chloride, 0.1M TrisHCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RAYONIX MX-300 / Detector: CCD / Date: Aug 11, 2011 |
Radiation | Monochromator: ACCEL/BRUKER DCM / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97949 Å / Relative weight: 1 |
Reflection | Resolution: 1.15→36.84 Å / Num. all: 83777 / Num. obs: 83777 / % possible obs: 98 % / Redundancy: 6.1 % / Biso Wilson estimate: 6.9 Å2 / Rmerge(I) obs: 0.041 / Net I/σ(I): 23.6 |
Reflection shell | Resolution: 1.15→1.18 Å / Redundancy: 3.9 % / Rmerge(I) obs: 0.372 / Mean I/σ(I) obs: 2.9 / Num. unique all: 4988 / % possible all: 81.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 4ZG4 Resolution: 1.15→36.84 Å / Cor.coef. Fo:Fc: 0.985 / Cor.coef. Fo:Fc free: 0.978 / SU B: 0.964 / SU ML: 0.02 / Cross valid method: THROUGHOUT / ESU R: 0.028 / ESU R Free: 0.031 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 12.31 Å2
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Refinement step | Cycle: LAST / Resolution: 1.15→36.84 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.15→1.18 Å / Total num. of bins used: 20
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