+Open data
-Basic information
Entry | Database: PDB / ID: 3hmw | ||||||
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Title | Crystal structure of ustekinumab FAB | ||||||
Components |
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Keywords | IMMUNE SYSTEM / USTEKINUMAB / CNTO1275 / IL-12 / IL-23 / ANTIBODY / FAB / MONOCLONAL ANTIBODY | ||||||
Function / homology | Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / : Function and homology information | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 3 Å | ||||||
Authors | Luo, J. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2010 Title: Structural basis for the dual recognition of IL-12 and IL-23 by ustekinumab. Authors: Luo, J. / Wu, S.J. / Lacy, E.R. / Orlovsky, Y. / Baker, A. / Teplyakov, A. / Obmolova, G. / Heavner, G.A. / Richter, H.T. / Benson, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3hmw.cif.gz | 176.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3hmw.ent.gz | 147 KB | Display | PDB format |
PDBx/mmJSON format | 3hmw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hm/3hmw ftp://data.pdbj.org/pub/pdb/validation_reports/hm/3hmw | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Antibody | Mass: 23474.996 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Description: PAPAIN DIGESTED FROM mAb / Cell line (production host): HEK 293 / Production host: HOMO SAPIENS (human) | ||
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#2: Antibody | Mass: 24361.453 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Description: PAPAIN DIGESTED FROM mAb / Cell line (production host): HEK 293 / Production host: HOMO SAPIENS (human) | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.35 Å3/Da / Density % sol: 63.34 % |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU SATURN 944 / Detector: CCD / Date: Feb 18, 2008 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 3→69.65 Å / Num. all: 13596 / Num. obs: 13596 / % possible obs: 99.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 40 % / Biso Wilson estimate: 58.35 Å2 / Rmerge(I) obs: 0.107 / Net I/σ(I): 25.5 |
Reflection shell | Resolution: 3→3.11 Å / Redundancy: 38.5 % / Rmerge(I) obs: 0.361 / Mean I/σ(I) obs: 9 / Num. unique all: 1318 / % possible all: 98.7 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3→34.827 Å / Occupancy max: 1 / Occupancy min: 0.5 / SU ML: 0.88 / σ(F): 1.34 / 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 / Bsol: 44.577 Å2 / ksol: 0.342 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 137.31 Å2 / Biso mean: 52.532 Å2 / Biso min: 3.27 Å2
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Refinement step | Cycle: LAST / Resolution: 3→34.827 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 5
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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