+Open data
-Basic information
Entry | Database: PDB / ID: 2wuq | ||||||
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Title | Crystal structure of BlaB protein from Streptomyces cacaoi | ||||||
Components | BETA-LACTAMASE REGULATORY PROTEIN BLAB | ||||||
Keywords | TRANSCRIPTION / CLASS A BETA-LACTAMASE FOLD / TRANSCRIPTION REGULATION / BETA-LACTAMASE INDUCTION / RESISTANCE MECHANISM | ||||||
Function / homology | Beta-lactamase enzyme family / Beta-lactamase / DD-peptidase/beta-lactamase superfamily / Beta-lactamase/transpeptidase-like / 3-Layer(aba) Sandwich / Alpha Beta / Beta-lactamase regulatory protein BlaB Function and homology information | ||||||
Biological species | STREPTOMYCES CACAOI (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Dandois, S. / Herman, R. / Sauvage, E. / Charlier, P. / Joris, B. / Kerff, F. | ||||||
Citation | Journal: To be Published Title: The Crystal Structure of Blab Protein from Streptomyces Cacaoi Authors: Dandois, S. / Moutzourelis, G. / Herman, R. / Sauvage, E. / Charlier, P. / Joris, B. / Kerff, F. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2wuq.cif.gz | 229.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2wuq.ent.gz | 188.8 KB | Display | PDB format |
PDBx/mmJSON format | 2wuq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2wuq_validation.pdf.gz | 445.2 KB | Display | wwPDB validaton report |
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Full document | 2wuq_full_validation.pdf.gz | 448.2 KB | Display | |
Data in XML | 2wuq_validation.xml.gz | 25.2 KB | Display | |
Data in CIF | 2wuq_validation.cif.gz | 37.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wu/2wuq ftp://data.pdbj.org/pub/pdb/validation_reports/wu/2wuq | HTTPS FTP |
-Related structure data
Related structure data | 1dy6S S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 34677.055 Da / Num. of mol.: 2 / Fragment: RESIDUES 2-312 Source method: isolated from a genetically manipulated source Source: (gene. exp.) STREPTOMYCES CACAOI (bacteria) / Production host: STREPTOMYCES LIVIDANS (bacteria) / Strain (production host): TK24 / References: UniProt: P33652 #2: Chemical | #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: 2.22 Å3/Da / Density % sol: 44.56 % / Description: NONE |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM30A / Wavelength: 0.979738 |
Detector | Type: ADSC CCD / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979738 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→47.3 Å / Num. obs: 56421 / % possible obs: 100 % / Observed criterion σ(I): 0 / Redundancy: 5.9 % / Biso Wilson estimate: 0 Å2 / Rmerge(I) obs: 0.12 / Net I/σ(I): 10.4 |
Reflection shell | Resolution: 1.8→1.9 Å / Redundancy: 5.7 % / Rmerge(I) obs: 0.78 / Mean I/σ(I) obs: 2.6 / % possible all: 99.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1DY6 Resolution: 1.8→47.3 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.939 / SU B: 4.95 / SU ML: 0.076 / Cross valid method: THROUGHOUT / ESU R: 0.11 / ESU R Free: 0.11 / 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: 20.969 Å2
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Refinement step | Cycle: LAST / Resolution: 1.8→47.3 Å
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Refine LS restraints |
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