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- PDB-6aow: Crystal structure of lectin domain of F9 pilus adhesin FmlH from ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6aow | ||||||
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Title | Crystal structure of lectin domain of F9 pilus adhesin FmlH from E. coli UTI89 | ||||||
![]() | F9 pilus adhesin FmlH | ||||||
![]() | SUGAR BINDING PROTEIN / Fimbrial adhesin / lectin / bacterial adhesion | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Kalas, V. / Hultgren, S.J. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Authors: Kalas, V. / Hibbing, M.E. / Maddirala, A.R. / Chugani, R. / Pinkner, J.S. / Mydock-McGrane, L.K. / Conover, M.S. / Janetka, J.W. / Hultgren, S.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 | ![]() | 79 KB | Display | ![]() |
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PDB format | ![]() | 57.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6aoxC ![]() 6aoyC ![]() 6armC ![]() 6arnC ![]() 6aroC ![]() 6as8C ![]() 3mcyS S: Starting model for refinement C: citing same article ( |
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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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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 17920.088 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.08 Å3/Da / Density % sol: 40.82 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 0.2 M ammonium sulfate, 0.1M NaCl, 0.1 M MES pH 5.6, 28% PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RDI CMOS_8M / Detector: CMOS / Date: Nov 12, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→50.03 Å / Num. obs: 38073 / % possible obs: 98.1 % / Redundancy: 3.5 % / CC1/2: 0.997 / Rmerge(I) obs: 0.093 / Rpim(I) all: 0.057 / Rrim(I) all: 0.109 / Net I/σ(I): 8.7 |
Reflection shell | Resolution: 1.6→1.63 Å / Redundancy: 3.4 % / Rmerge(I) obs: 1.39 / Mean I/σ(I) obs: 0.9 / Num. unique obs: 1891 / CC1/2: 0.382 / Rpim(I) all: 0.876 / Rrim(I) all: 1.648 / % possible all: 97.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3MCY Resolution: 1.6→50 Å / SU ML: 0.23 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.85
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.6→50 Å
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Refine LS restraints |
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LS refinement shell |
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