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- PDB-6x6q: Peptide-bound structure of Marinomonas primoryensis peptide-bindi... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6x6q | ||||||
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Title | Peptide-bound structure of Marinomonas primoryensis peptide-binding domain | ||||||
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![]() | PROTEIN BINDING / peptide-binding domain / protein-binding domain | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() synthetic construct (others) | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Guo, S. / Davies, P.L. | ||||||
Funding support | 1items
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![]() | ![]() Title: Molecular basis for a bacterial adhesins peptide-binding module Authors: Davies, P.L. / Guo, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 207.8 KB | Display | ![]() |
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PDB format | ![]() | 161.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 440.9 KB | Display | ![]() |
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Full document | ![]() | 444.2 KB | Display | |
Data in XML | ![]() | 25.3 KB | Display | |
Data in CIF | ![]() | 38.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6x5vC ![]() 6x5wC ![]() 6x6mC ![]() 58kgS 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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Unit cell |
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Components
#1: Protein | Mass: 53064.453 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||||
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#2: Protein/peptide | Mass: 335.269 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) | ||||||
#3: Chemical | ChemComp-CA / #4: Chemical | #5: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.08 Å3/Da / Density % sol: 60.03 % |
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Crystal grow | Temperature: 298 K / Method: microbatch / pH: 4.6 Details: ~ 0.1 M calcium chloride, ~ 0.1 M sodium acetate (pH 4.6), ~ 30% (w/v) PEG 400 |
-Data collection
Diffraction | Mean temperature: 93 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 29, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.0332 Å / Relative weight: 1 |
Reflection | Resolution: 2→57.55 Å / Num. obs: 41893 / % possible obs: 97.7 % / Redundancy: 6.8 % / Biso Wilson estimate: 24.02 Å2 / Rrim(I) all: 0.366 / Net I/σ(I): 8.7 |
Reflection shell | Resolution: 2→2.03 Å / Num. unique obs: 1976 / Rrim(I) all: 0.742 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 58kg Resolution: 2.17→57.46 Å / SU ML: 0.204 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 18.2354 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 28.68 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.17→57.46 Å
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Refine LS restraints |
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LS refinement shell |
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