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Open data
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Basic information
Entry | Database: PDB / ID: 7sa6 | ||||||
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Title | fHbp mutant 2416 bound to Fab JAR5 | ||||||
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![]() | IMMUNE SYSTEM / antigen / PROTEIN BINDING | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Chesterman, C. / Malito, E. / Bottomley, M.J. | ||||||
Funding support | 1items
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![]() | ![]() Title: Active Learning for Rapid Design: An iterative AI approach for accelerated vaccine design that combines active machine learning and high-throughput experimental evaluation Authors: Chesterman, C. / Desautels, T. / Sierra, L.-J. / Arrildt, K. / Zemla, A. / Lau, E.Y. / Sundaram, S. / Laliberte, J. / Chen, L. / Ruby, A. / Mednikov, M. / Bertholet, S. / Yu, D. / Luisi, K. ...Authors: Chesterman, C. / Desautels, T. / Sierra, L.-J. / Arrildt, K. / Zemla, A. / Lau, E.Y. / Sundaram, S. / Laliberte, J. / Chen, L. / Ruby, A. / Mednikov, M. / Bertholet, S. / Yu, D. / Luisi, K. / Malito, E. / Mallett, C. / Bottomley, M.J. / Berg, R. / Faissol, D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 143.5 KB | Display | ![]() |
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PDB format | ![]() | 91.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 436.7 KB | Display | ![]() |
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Full document | ![]() | 440.6 KB | Display | |
Data in XML | ![]() | 21.4 KB | Display | |
Data in CIF | ![]() | 29.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
#1: Protein | Mass: 29637.010 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: fHbp / Production host: ![]() ![]() |
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#2: Antibody | Mass: 27509.053 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
#3: Antibody | Mass: 23865.557 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.21 Å3/Da / Density % sol: 61.67 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 0.1 M Sodium Citrate pH 5 15% w/v PEG 4000 0.1 M Magnesium Chloride |
-Data collection
Diffraction | Mean temperature: 170 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: May 12, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.9→19.93 Å / Num. obs: 22479 / % possible obs: 97.46 % / Redundancy: 9.15 % / CC1/2: 0.993 / Rmerge(I) obs: 0.1362 / Net I/σ(I): 9.15 |
Reflection shell | Resolution: 2.9→3.003 Å / Rmerge(I) obs: 1.366 / Num. unique obs: 2240 / CC1/2: 0.486 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5t5f Resolution: 2.9→19.93 Å / SU ML: 0.554 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 34.5744 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.9→19.93 Å
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Refine LS restraints |
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LS refinement shell |
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