TABLE 1

Crystallographic data collection and refinement statistics

Data collection statisticValue
WWAV GP1aLORV GP1a
pH 7.5 CdbpH 7.5pH 5.6pH 8.0pH 5.0
BeamlineDLS I23DLS I04DLS I04DLS I03DLS I03
Wavelength (Å)2.75520.97950.97950.97630.9763
Space groupP6322P6322P6322P41212P43212
Cell dimensions a, b, c (Å)106.9, 106.9, 74.9106.7, 106.7, 74.8109.0, 109.0, 70.860.5, 60.5, 96.457.3, 57.3, 113.2
α, β, γ (°)90, 90, 12090, 90, 12090, 90, 12090, 90, 9090, 90, 90
Resolution range (Å)75–2.99 (3.04–2.99)29–2.43 (2.49–2.43)55–2.08 (2.13–2.08)39–2.51 (2.55–2.51)40–1.98 (2.01–1.98)
Rmerge0.132 (>1)0.068 (>1)0.132 (>1)0.112 (>1)0.062 (>1)
I/σ(I)25.2 (2.0)22.8 (1.2)18.0 (1.6)15.4 (1.4)22.3 (1.5)
CC1/20.999 (0.723)1.000 (0.638)0.999 (0.588)0.999 (0.522)1.000 (0.585)
Completeness (%)94.3 (85.0)99.9 (100)100 (100)99.2 (94.9)100 (97.9)
Multiplicity28.3 (19.5)18.8 (20.3)19.2 (19.9)11.8 (3.7)15.2 (5.5)
Anomalous multiplicity15.9 (4.8)
Refinement statistics
    Resolution (Å)29–2.4355–2.0839–2.5133–1.98
    No. of reflections17,89515,4036,48013,746
    Rwork/Rfree0.220/0.2520.177/0.2070.208/0.2380.189/0.237
No. of atoms
    Protein1,1601,1701,2601,268
    Ligand/ion5066
    Water0831470
    Glycan42425670
B factors (Å2)
    Protein105.248.171.956.2
    Ligand/ion108.1NA103.187.2
    WaterNA53.369.061.9
    Glycan140.175.0103.287.1
Ramachandran (%)
    Favored97.996.696.898.7
    Allowed2.13.43.21.3
    Outlier0000
RMSD
    Bond length (Å)0.0020.0070.0020.010
    Bond angle (°)0.550.860.420.96
  • a The value for the highest-resolution shell is shown in parentheses. NA, not applicable.

  • b Cd denotes the cadmium-derived anomalous scattering data set used for phase determination.