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Yorodumi- PDB-1lqo: Crystal Strutcure of the Fosfomycin Resistance Protein A (FosA) C... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1lqo | ||||||
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Title | Crystal Strutcure of the Fosfomycin Resistance Protein A (FosA) Containing Bound Thallium Cations | ||||||
Components | PROBABLE Fosfomycin Resistance Protein | ||||||
Keywords | TRANSFERASE / manganese binding / thallium binding loop | ||||||
Function / homology | Function and homology information glutathione transferase / glutathione transferase activity / response to antibiotic / metal ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | Pseudomonas aeruginosa (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 2 Å | ||||||
Authors | Rife, C.L. / Pharris, R.E. / Newcomer, M.E. / Armstrong, R.N. | ||||||
Citation | Journal: J.Am.Chem.Soc. / Year: 2002 Title: Crystal structure of a genomically encoded fosfomycin resistance protein (FosA) at 1.19 A resolution by MAD phasing off the L-III edge of Tl(+) Authors: Rife, C.L. / Pharris, R.E. / Newcomer, M.E. / Armstrong, R.N. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1lqo.cif.gz | 70.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1lqo.ent.gz | 52.8 KB | Display | PDB format |
PDBx/mmJSON format | 1lqo.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/lq/1lqo ftp://data.pdbj.org/pub/pdb/validation_reports/lq/1lqo | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Details | The biological assembly is a dimer consisting of chains A and B. |
-Components
#1: Protein | Mass: 15143.006 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Gene: FosA / Plasmid: pET-20 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21-DE3 / References: UniProt: Q9I4K6, glutathione transferase #2: Chemical | ChemComp-PO4 / #3: Chemical | #4: Chemical | ChemComp-TL / #5: 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: 2.33 Å3/Da / Density % sol: 47.3 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7 Details: WELL CONTAINED 40% PENTAERYTHRITOL PROPOXYLATE 629, 0.08M K2HPO4. DROP CONTAINED 0.002 M MNCL2, 0.002M FOSFOMYCIN, 10 MG/ML FOSA, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 113 K | ||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 14-BM-D / Wavelength: 0.9780, 0.9789, 0.9537 | ||||||||||||
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Feb 16, 2002 | ||||||||||||
Radiation | Monochromator: Si(111) double-crystal monochromator, Bent cylindrical Si-mirror (Rh coating) Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||
Radiation wavelength |
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Reflection | Resolution: 2→30 Å / Num. all: 19809 / Num. obs: 19809 / % possible obs: 96 % / Observed criterion σ(I): -3 / Redundancy: 10.2 % / Biso Wilson estimate: 27 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 25 | ||||||||||||
Reflection shell | Resolution: 2→2.07 Å / Rmerge(I) obs: 0.17 / Mean I/σ(I) obs: 11 / % possible all: 84.9 | ||||||||||||
Reflection | *PLUS Lowest resolution: 25 Å / % possible obs: 96 % / Rmerge(I) obs: 0.07 | ||||||||||||
Reflection shell | *PLUS % possible obs: 86 % |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 2→30 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.907 / SU B: 5.786 / SU ML: 0.67 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.208 / ESU R Free: 0.186 / 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: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 27.182 Å2
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Refinement step | Cycle: LAST / Resolution: 2→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.052 Å / Total num. of bins used: 20 /
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Refinement | *PLUS Highest resolution: 2 Å / Rfactor Rfree: 0.2522 / Rfactor Rwork: 0.1974 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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