+Open data
-Basic information
Entry | Database: PDB / ID: 1s0w | ||||||
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Title | 1b Lactamse/ b Lactamase Inhibitor | ||||||
Components |
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Keywords | HYDROLASE / PROTEIN-PROTEIN COMPLEX / TEM-1 BETA-LACTAMASE / BETA-LACTAMASE INHIBITOR PROTEIN / BLIP / Israel Structural Proteomics Center / ISPC / Structural Genomics | ||||||
Function / homology | Function and homology information regulation of beta-lactamase activity / beta-lactam antibiotic catabolic process / beta-lactamase activity / beta-lactamase / response to antibiotic / extracellular region Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) Streptomyces clavuligerus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||
Authors | Schreiber, G. / Reichman, D. / Israel Structural Proteomics Center (ISPC) | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2005 Title: The modular architecture of protein-protein binding interfaces. Authors: Reichmann, D. / Rahat, O. / Albeck, S. / Meged, R. / Dym, O. / Schreiber, G. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1s0w.cif.gz | 179.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1s0w.ent.gz | 141 KB | Display | PDB format |
PDBx/mmJSON format | 1s0w.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1s0w_validation.pdf.gz | 451.5 KB | Display | wwPDB validaton report |
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Full document | 1s0w_full_validation.pdf.gz | 462.1 KB | Display | |
Data in XML | 1s0w_validation.xml.gz | 35.7 KB | Display | |
Data in CIF | 1s0w_validation.cif.gz | 50.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/s0/1s0w ftp://data.pdbj.org/pub/pdb/validation_reports/s0/1s0w | HTTPS FTP |
-Related structure data
Related structure data | 1xxmC 1jtgS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | |
Other databases |
-Links
-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: 28941.994 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Production host: Escherichia coli (E. coli) / References: UniProt: P00810, UniProt: P62593*PLUS #2: Protein | Mass: 17480.396 Da / Num. of mol.: 2 / Mutation: F1142A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces clavuligerus (bacteria) / Production host: Escherichia coli (E. coli) / References: UniProt: P35804 #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.46 Å3/Da / Density % sol: 49.93 % | ||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: microbatch / pH: 7.5 Details: PEG 8000, Dioxane, pH 7.5, Microbatch, temperature 293K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: batch method | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU300 / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→40 Å / Num. obs: 40572 / % possible obs: 96.9 % / Redundancy: 7 % / Biso Wilson estimate: 27.1 Å2 / Rmerge(I) obs: 0.05 / Rsym value: 0.057 / Net I/σ(I): 22 |
Reflection shell | Resolution: 2.3→2.38 Å / Redundancy: 5 % / Rmerge(I) obs: 0.189 / Mean I/σ(I) obs: 20.3 / Num. unique all: 3657 / Rsym value: 0.04 / % possible all: 89.9 |
Reflection | *PLUS Num. obs: 40514 / % possible obs: 97.2 % / Num. measured all: 498302 / Rmerge(I) obs: 0.057 |
Reflection shell | *PLUS % possible obs: 89.9 % / Rmerge(I) obs: 0.203 / Mean I/σ(I) obs: 6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1jtg Resolution: 2.3→40 Å / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.3→40 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.3→2.32 Å /
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Refinement | *PLUS Highest resolution: 3 Å / % reflection Rfree: 10 % / Rfactor Rfree: 0.262 / Rfactor Rwork: 0.213 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS |