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Table 1 Crystal data and refinement statistics for AAG.

From: A biophysical elucidation for less toxicity of Agglutinin than Abrin-a from the Seeds of Abrus Precatorius in consequence of crystal structure

Crystal ID AAG
Agglutinin A-Chain Residues 1-250
Agglutinin B-Chain Residues 5-267
Agglutinin C-Chain Residues 1-250
Agglutinin D-Chain Residues 5-267
X-ray wavelength (Å) 1
Crystal system tetragonal
Space group name P41212
Cell length a (Å) 137.050
Cell length b (Å) 137.050
Cell length c (Å) 214.424
Cell volume (Å^3) 4027462.2
Cell formula units Z 16
Cell measurement temperature (K) 100
Crystal shape octahedron
Crystal color transparent
Crystal size (mm^3) 0.30 × 0.30 × 0.25
Colvent content (%) 72.33
Matthews coefficient (Å^3/Da) 4.45
Unique reflections 73976
Averaged R_sym (outer sell) 0.0727 (0.3600)
Averaged I/FI (outer sell) 11.9 (1.8)
Completeness (%) (outer sell) 99.1 (98.1)
Redundancy (outer sell) 4.1 (3.6)
Resolution range of collection (Å) 2.47 ~ 30.0
Resolution range of refinement (Å) 2.6 ~ 19.88
R_cryst (outer sell) 0.204 (0.211)
R_free (outer sell) 0.236 (0.256)
No. of protein atoms 8062
No. of water molecules 169
No. of NAG atoms 42
rms deviation from ideal bond length (Å) 0.009
rms deviation from ideal bond angle (º) 1.3
Isotropic thermal factor restraints rms sigma
Main chain bond (Å^2) 1.87; 1.50
Main chain angle (Å^2) 2.84; 2.00
   Side chain bond (Å^2) 2.87; 2.00
Side chain angle (Å^2) 3.90; 2.50
Ramachandran plot [50] (% of residues)  
in the most favored regions (A, B, L) 81.7
in the additionally allowed regions (a, b, l, p) 18.3%