2V7N

Unusual twinning in crystals of the CitS binding antibody Fab fragment f3p4

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.92 Å
  • R-Value Free: 0.202 
  • R-Value Observed: 0.155 

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This is version 1.2 of the entry. See complete history. 


Literature

Structure of the Recombinant Antibody Fab Fragment F3P4.

Frey, D., Huber, T., Plueckthun, A., Gruetter, M.G.

(2008) Acta Crystallogr D Biol Crystallogr 64: 636

  • DOI: https://doi.org/10.1107/S0907444908007282
  • Primary Citation of Related Structures:  
    2V7N

  • PubMed Abstract: 

    The structure of the antibody Fab fragment f3p4, which was selected from a subset of the synthetic HuCAL antibody library to bind the sodium citrate symporter CitS, is described at 1.92 A resolution. Comparison with computational models revealed deviations in a few framework positions and in the binding loops. The crystals belong to space group P2(1)2(1)2 and contain four molecules in the asymmetric unit, with unit-cell parameters a=102.77, b=185.92, c=102.97 A. These particular unit-cell parameters allowed pseudo-merohedral twinning; interestingly, the twinning law relates a twofold screw axis to a twofold axis.

    • Organizational Affiliation: 

    Department of Biochemistry, University of Zürich, Switzerland.


Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
IMMUNOGLOBULIN LIGHT CHAIN
A, C, E, G
215synthetic constructMutation(s): 0 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
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  • Reference Sequence
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Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
IMMUNOGLOBULIN HEAVY CHAIN
B, D, F, H
229synthetic constructMutation(s): 0 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.92 Å
  • R-Value Free: 0.202 
  • R-Value Observed: 0.155 
  • Space Group: P 21 21 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 102.79α = 90
b = 185.92β = 90
c = 102.99γ = 90
Software Package:
Software NamePurpose
SHELXL-97refinement
XDSdata reduction
XDSdata scaling
PHASERphasing

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2008-06-17
    Type: Initial release
  • Version 1.1: 2012-05-30
    Changes: Database references, Derived calculations, Non-polymer description, Other, Source and taxonomy, Version format compliance
  • Version 1.2: 2019-05-22
    Changes: Data collection, Other, Refinement description