+Open data
-Basic information
Entry | Database: PDB / ID: 4rlb | ||||||
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Title | Crystal structure of Acinetobacter baumannii CarO2 | ||||||
Components | Carbapenem-associated resistance protein | ||||||
Keywords | MEMBRANE PROTEIN / outer membrane protein / beta-barrel | ||||||
Function / homology | Porin - #170 / Outer membrane protein/outer membrane enzyme PagP, beta-barrel / Porin / Beta Barrel / Mainly Beta / Carbapenem-associated resistance protein Function and homology information | ||||||
Biological species | Acinetobacter baumannii (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.7 Å | ||||||
Authors | Zahn, M. / Basle, A. / van den Berg, B. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2015 Title: Small-Molecule Transport by CarO, an Abundant Eight-Stranded beta-Barrel Outer Membrane Protein from Acinetobacter baumannii. Authors: Zahn, M. / D'Agostino, T. / Eren, E. / Basle, A. / Ceccarelli, M. / van den Berg, B. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4rlb.cif.gz | 174.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4rlb.ent.gz | 140.8 KB | Display | PDB format |
PDBx/mmJSON format | 4rlb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4rlb_validation.pdf.gz | 434.4 KB | Display | wwPDB validaton report |
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Full document | 4rlb_full_validation.pdf.gz | 436.8 KB | Display | |
Data in XML | 4rlb_validation.xml.gz | 15.7 KB | Display | |
Data in CIF | 4rlb_validation.cif.gz | 20.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/rl/4rlb ftp://data.pdbj.org/pub/pdb/validation_reports/rl/4rlb | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: _ / Ens-ID: 1 / Beg auth comp-ID: ASN / Beg label comp-ID: ASN / End auth comp-ID: TRP / End label comp-ID: TRP / Refine code: _ / Auth seq-ID: 14 - 226 / Label seq-ID: 41 - 253
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-Components
#1: Protein | Mass: 27619.365 Da / Num. of mol.: 2 / Fragment: UNP residues 22-247 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Acinetobacter baumannii (bacteria) / Gene: carO / Production host: Escherichia coli (E. coli) / References: UniProt: Q5DL42 |
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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: 3.53 Å3/Da / Density % sol: 65.19 % |
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 63% MPD, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I02 / Wavelength: 0.97949 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Feb 23, 2014 |
Radiation | Monochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97949 Å / Relative weight: 1 |
Reflection | Resolution: 2.7→120.899 Å / Num. obs: 22490 / % possible obs: 99.9 % |
Reflection shell | Resolution: 2.7→2.83 Å / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.7→60 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.941 / SU B: 17.183 / SU ML: 0.16 / Cross valid method: THROUGHOUT / ESU R: 0.324 / ESU R Free: 0.244 / 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: 64.427 Å2
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Refinement step | Cycle: LAST / Resolution: 2.7→60 Å
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Refine LS restraints |
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