Table 1.
Data collection, and refinement statistics for Brugia malayi venom allergen-like 1 protein (BmVAL-1).
| Data collection | BmVAL-1 |
|---|---|
| Wavelength (nm) | 0.15418 |
| Resolution range (Å) | 44.87–2.25 (2.33–2.25) |
| Space group | P 43 21 2 |
| Unit cell | a = 85.79 Å, b = 85.79 Å, c = 66.67 Å α = β = γ = 90o |
| Total reflections | 22,409 (1735) |
| Unique reflections | 11,799 (997) |
| Multiplicity | 1.9 (1.7) |
| Completeness (%) | 95.81 (83.07) |
| Mean I/sigma (I) | 10.20 (3.50) |
| Wilson B-factor | 20.07 |
| R-merge | 0.03196 (0.1561) |
| R-meas | 0.0452 (0.2207) |
| R-pim | 0.03196 (0.1561) |
| CC1/2 | 0.998 (0.927) |
| CC* | 0.999 (0.981) |
| Reflections used in refinement | 11,789 (996) |
| Reflections used for R-free | 976 (72) |
| R-work | 0.1823 (0.2052) |
| R-free | 0.2134 (0.2755) |
| CC (work) | 0.945 (0.853) |
| CC (free) | 0.917 (0.740) |
| Number of non-hydrogen atoms | 1882 |
| Macromolecules | 1630 |
| Ligands | 47 |
| Solvent | 205 |
| Protein residues | 206 |
| RMSD bond lengths (Å) | 0.008 |
| RMSD angles (o) | 0.93 |
| Ramachandran favored (%) | 99 |
| Ramachandran allowed (%) | 1.5 |
| Ramachandran outliers (%) | 0 |
| Rotamer outliers (%) | 0 |
| Clashscore | 6.01 |
| Average B-factor | 22.15 |
| Macromolecules | 20.86 |
| Ligands | 39.48 |
| Solvent | 28.45 |
Statistics for the highest resolution shell are shown in parentheses.
RMSD, root-mean-square deviation; CC, correlation coefficient.