3HF0

alpha/beta-Peptide helix crystallized from detergent solution: GCN4-pLI side chain sequence on an (alpha-alpha-beta-alpha-beta-alpha-beta) backbone with cyclic beta-residues

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.10 Å
  • R-Value Free: 0.233 
  • R-Value Work: 0.219 
  • R-Value Observed: 0.220 

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This is version 2.0 of the entry. See complete history. 


Literature

alpha/beta-Peptide helix crystallized from detergent solution: GCN4-pLI side chain sequence on an (alpha-alpha-beta-alpha-beta-alpha-beta) backbone with cyclic beta-residues

Horne, W.S., Price, J.L., Gellman, S.H.

To be published.

Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
GCN4-pLI side chain sequence on an (alpha-alpha-beta-alpha-beta-alpha-beta) backbone with cyclic beta-residues34N/AMutation(s): 0 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
16A
Query on 16A
Download Ideal Coordinates CCD File 
B [auth A]CETYL-TRIMETHYL-AMMONIUM
C19 H42 N
RLGQACBPNDBWTB-UHFFFAOYSA-N
Modified Residues  1 Unique
IDChains TypeFormula2D DiagramParent
B3Y
Query on B3Y
A
L-PEPTIDE LINKINGC10 H13 N O3TYR
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.10 Å
  • R-Value Free: 0.233 
  • R-Value Work: 0.219 
  • R-Value Observed: 0.220 
  • Space Group: I 41 2 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 47.99α = 90
b = 47.99β = 90
c = 100.533γ = 90
Software Package:
Software NamePurpose
PROTEUM PLUSdata collection
PHASERphasing
REFMACrefinement
PROTEUM PLUSdata reduction
PROTEUM PLUSdata scaling

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2009-05-19
    Type: Initial release
  • Version 1.1: 2011-07-13
    Changes: Version format compliance
  • Version 1.2: 2023-09-06
    Changes: Data collection, Database references, Derived calculations, Refinement description
  • Version 2.0: 2023-11-15
    Changes: Atomic model, Data collection