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- PDB-1igj: 26-10 FAB:DIGOXIN COMPLEX-AFFINITY AND SPECIFICITY DUE TO SURFACE... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1igj | ||||||
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Title | 26-10 FAB:DIGOXIN COMPLEX-AFFINITY AND SPECIFICITY DUE TO SURFACE COMPLEMENTARITY | ||||||
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![]() | IMMUNOGLOBULIN | ||||||
Function / homology | Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / DIGOXIN / : / : ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Jeffrey, P.D. / Sheriff, S. | ||||||
![]() | ![]() Title: 26-10 Fab-digoxin complex: affinity and specificity due to surface complementarity. Authors: Jeffrey, P.D. / Strong, R.K. / Sieker, L.C. / Chang, C.Y. / Campbell, R.L. / Petsko, G.A. / Haber, E. / Margolies, M.N. / Sheriff, S. #1: ![]() Title: Crystallization of the Fab Fragment of a Monoclonal Anti-Digoxin Antibody and its Complex with Digoxin Authors: Rose, D.R. / Seaton, B.A. / Petsko, G.A. / Novotny, J. / Margolies, M.N. / Locke, E. / Haber, E. #2: ![]() Title: Solution of a Fab (26-10)Digoxin Complex by Generalized Molecular Replacement Authors: Brunger, A.T. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 176 KB | Display | ![]() |
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PDB format | ![]() | 139.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Atom site foot note | 1: RESIDUES 8, 95, 141 OF THE A AND C CHAINS AND 149, 151, 200 OF THE B AND D CHAINS ARE CIS PROLINES. |
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Components
#1: Antibody | Mass: 24057.676 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() #2: Antibody | Mass: 23307.027 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() #3: Chemical | Nonpolymer details | DIGOXIN IS DIGOXIGENIN TRIDIGITOXOSIDE, HOWEVER, THERE IS NO ELECTRON DENSITY FOR THE OUTERMOST TWO ...DIGOXIN IS DIGOXIGENI | Sequence details | THE FAB FRAGMENT IS NUMBERED BY THE CONVENTION OF E.KABAT (E.A.KABAT,T.T.WU,H.M.PERRY,K.S. ...THE FAB FRAGMENT IS NUMBERED BY THE CONVENTION | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.55 Å3/Da / Density % sol: 51.67 % | ||||||||||||||||||||
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Crystal grow | *PLUS pH: 7.5 / Method: unknown | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | *PLUS Highest resolution: 2.5 Å / Num. obs: 27121 / Num. measured all: 68345 / Rmerge(I) obs: 0.048 |
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Processing
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Refinement | Resolution: 2.5→8 Å / Rfactor Rwork: 0.176 / σ(F): 1 Details: CRYSTALS ARE TWINNED BY HEMI-MEROHEDRY SUCH THAT (H,K,L) REFLECTIONS FROM ONE LATTICE AND (H,K,-H-L) REFLECTIONS FROM THE OTHER LATTICE ARE SPATIALLY OVERLAPPED. TWIN FRACTION FOR CRYSTAL ...Details: CRYSTALS ARE TWINNED BY HEMI-MEROHEDRY SUCH THAT (H,K,L) REFLECTIONS FROM ONE LATTICE AND (H,K,-H-L) REFLECTIONS FROM THE OTHER LATTICE ARE SPATIALLY OVERLAPPED. TWIN FRACTION FOR CRYSTAL WHOSE DATA THE MODEL WAS REFINED AGAINST WAS ESTIMATED AT 43%. THE FOLLOWING REGIONS OF THE HEAVY CHAINS (B AND D) WERE INCLUDED IN THE MODEL BUT HAVE POORLY DEFINED ELECTRON DENSITY: 25 - 31, 53 - 56, AND 127 - 137. | |||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.5→8 Å
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Refine LS restraints |
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Refinement | *PLUS Lowest resolution: 8 Å / Num. reflection obs: 25135 / Rfactor Rwork: 0.174 | |||||||||||||||
Solvent computation | *PLUS | |||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||
Refine LS restraints | *PLUS
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