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- PDB-1i9j: TESTOSTERONE COMPLEX STRUCTURE OF THE RECOMBINANT MONOCLONAL WILD... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1i9j | ||||||
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Title | TESTOSTERONE COMPLEX STRUCTURE OF THE RECOMBINANT MONOCLONAL WILD TYPE ANTI-TESTOSTERONE FAB FRAGMENT | ||||||
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![]() | IMMUNE SYSTEM / fab fragment / anti-testosterone / recombinant / monoclonal / testosterone | ||||||
Function / homology | ![]() immunoglobulin complex, circulating / immunoglobulin receptor binding / complement activation, classical pathway / antigen binding / antibacterial humoral response / blood microparticle / immune response / extracellular space / extracellular exosome / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Valjakka, J. / Takkinenz, K. / Teerinen, T. / Soderlund, H. / Rouvinen, J. | ||||||
![]() | ![]() Title: Structural insights into steroid hormone binding: the crystal structure of a recombinant anti-testosterone Fab fragment in free and testosterone-bound forms. Authors: Valjakka, J. / Takkinenz, K. / Teerinen, T. / Soderlund, H. / Rouvinen, J. #1: ![]() Title: X-ray studies of recombinant anti-testosterone fab fragments: the use of peg 3350 in crystallization Authors: Valjakka, J. / Hemminki, A. / Teerinen, T. / Takkinen, K. / Rouvinen, 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 | ![]() | 104 KB | Display | ![]() |
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PDB format | ![]() | 79.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 703.1 KB | Display | ![]() |
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Full document | ![]() | 709.5 KB | Display | |
Data in XML | ![]() | 22.5 KB | Display | |
Data in CIF | ![]() | 32.5 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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Unit cell |
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Components
#1: Antibody | Mass: 24056.625 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Antibody | Mass: 23509.566 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
#3: Chemical | ChemComp-TES / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.03 Å3/Da / Density % sol: 59.44 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop Details: peg3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 5.6 | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE / Details: MSC Confocal Blue Optics |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→99 Å / Num. all: 52788 / Num. obs: 16913 / % possible obs: 91.7 % / Observed criterion σ(I): 1 / Redundancy: 3.1 % / Rmerge(I) obs: 0.085 |
Reflection shell | Resolution: 2.6→2.69 Å / Rmerge(I) obs: 0.299 / % possible all: 95.7 |
Reflection | *PLUS Lowest resolution: 99 Å / Num. measured all: 52788 |
Reflection shell | *PLUS % possible obs: 95.7 % / Mean I/σ(I) obs: 4.2 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: native anti-testosterone fab fragment Resolution: 2.6→99 Å / σ(F): 1
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Refinement step | Cycle: LAST / Resolution: 2.6→99 Å
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Refine LS restraints |
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Xplor file |
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Refinement | *PLUS Lowest resolution: 500 Å / σ(F): 1 / Rfactor obs: 0.188 | ||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||
Refine LS restraints | *PLUS
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