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Open data
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Basic information
Entry | Database: PDB / ID: 4kaq | |||||||||
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Title | Structure of rituximab Fab | |||||||||
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![]() | IMMUNE SYSTEM / monoclonal antibody | |||||||||
Function / homology | Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta![]() | |||||||||
Biological species | ![]() ![]() ![]() | |||||||||
Method | ![]() ![]() | |||||||||
![]() | Bzymek, K.P. / Williams, J.C. | |||||||||
![]() | ![]() Title: Crystal structure of rituximab Authors: Bzymek, K.P. / Williams, J.C. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 100.5 KB | Display | ![]() |
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PDB format | ![]() | 75.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 430.8 KB | Display | ![]() |
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Full document | ![]() | 432.7 KB | Display | |
Data in XML | ![]() | 19.9 KB | Display | |
Data in CIF | ![]() | 28.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2oslS S: Starting model for refinement |
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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 on special symmetry positions |
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Components
#1: Antibody | Mass: 23078.623 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: Commercially available as Rituxin / Source: (gene. exp.) Homo sapiens, Mus musculus |
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#2: Antibody | Mass: 23716.512 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: Commercially available as Rituxin / Source: (gene. exp.) Homo sapiens, Mus musculus |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 44.02 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 22% PEG 3350, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Apr 8, 2013 |
Radiation | Monochromator: Varimax / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.48→30.32 Å / Num. all: 15014 / Num. obs: 14891 / % possible obs: 99.2 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 4.6 % / Rmerge(I) obs: 0.058 / Net I/σ(I): 22.4 |
Reflection shell | Resolution: 2.48→2.54 Å / Redundancy: 3.3 % / Rmerge(I) obs: 0.199 / Mean I/σ(I) obs: 6.3 / % possible all: 92.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2OSL Resolution: 2.48→30.32 Å / SU ML: 0.3 / σ(F): 2 / σ(I): 2 / Phase error: 20.64 / Stereochemistry target values: ML
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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: 2.48→30.32 Å
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Refine LS restraints |
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LS refinement shell |
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