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- PDB-1i5n: Crystal structure of the P1 domain of CheA from Salmonella typhimurium -
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Open data
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Basic information
Entry | Database: PDB / ID: 1i5n | ||||||
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Title | Crystal structure of the P1 domain of CheA from Salmonella typhimurium | ||||||
![]() | CHEMOTAXIS PROTEIN CHEA | ||||||
![]() | TRANSFERASE / Four-helix bundle | ||||||
Function / homology | ![]() histidine kinase / phosphorelay sensor kinase activity / chemotaxis / ATP binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Mourey, L. / Da Re, S. / Pedelacq, J.-D. / Tolstyk, T. / Faurie, C. / Guillet, V. / Stock, J.B. / Samama, J.-P. | ||||||
![]() | ![]() Title: Crystal structure of the CheA histidine phosphotransfer domain that mediates response regulator phosphorylation in bacterial chemotaxis Authors: Mourey, L. / Da Re, S. / Pedelacq, J.-D. / Tolstykh, T. / Faurie, C. / Guillet, V. / Stock, J.B. / Samama, J.-P. #1: ![]() Title: The molecular puzzle of two-component signaling cascades Authors: Foussard, M. / Cabantous, S. / Pedelacq, J.-D. / Guillet, V. / Tranier, S. / Mourey, L. / Birck, C. / Samama, J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 110.1 KB | Display | ![]() |
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PDB format | ![]() | 91.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 466.3 KB | Display | ![]() |
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Full document | ![]() | 473.2 KB | Display | |
Data in XML | ![]() | 21.6 KB | Display | |
Data in CIF | ![]() | 30.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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3 | ![]()
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4 | ![]()
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Unit cell |
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Details | The biological assembly is a monomer. There are four such monomers in the asymmetric unit. |
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Components
#1: Protein | Mass: 16902.771 Da / Num. of mol.: 4 / Fragment: RESIDUES 1-138 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P09384, Transferases; Transferring phosphorus-containing groups; Phosphotransferases with a nitrogenous group as acceptor #2: Chemical | ChemComp-SO4 / | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.06 Å3/Da / Density % sol: 39.9 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 285 K / Method: vapor diffusion, hanging drop / pH: 5 Details: POLYETHYLENE GLYCOL 2000 MONOMETHYL ETHER, AMMONIUM SULFATE, SODIUM ACETATE, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 285K | ||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 7.5 / Method: microdialysis | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||
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Diffraction source | Source: ![]() ![]() ![]() | ||||||||||||
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Sep 18, 1999 | ||||||||||||
Radiation | Monochromator: DOUBLE CRYSTAL FOCUSSING MONOCHROMATOR / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||
Radiation wavelength |
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Reflection | Resolution: 2.14→35.3 Å / Num. all: 206627 / Num. obs: 31247 / % possible obs: 98.3 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 6.6 % / Biso Wilson estimate: 21.2 Å2 / Rmerge(I) obs: 0.048 / Net I/σ(I): 6.8 | ||||||||||||
Reflection shell | Resolution: 2.14→2.26 Å / Redundancy: 5.9 % / Rmerge(I) obs: 0.167 / % possible all: 91.3 | ||||||||||||
Reflection | *PLUS Num. measured all: 206627 | ||||||||||||
Reflection shell | *PLUS % possible obs: 91.3 % |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 46.9 Å2 / ksol: 0.368 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 23.6 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.14→35.3 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.14→2.28 Å / Rfactor Rfree error: 0.019 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 0.9 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 35.3 Å / Num. reflection obs: 29631 / σ(F): 0 / % reflection Rfree: 5 % / Rfactor obs: 0.21 / Rfactor Rwork: 0.21 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 23.6 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.299 / % reflection Rfree: 5.3 % / Rfactor Rwork: 0.257 |