TABLE 1.
Data collection and refinement statistics for the neutron structure of RAS-GppNHp
Space group | P3221 |
Unit cell dimensions | |
a, b, c (Å) and α, β, γ (°) | 40.1, 40.1, 160.8, 90, 90, 120 |
Resolution range (Å) | 17.0–1.9 (1.98–1.91) |
Total reflections | 17,490 (993) |
Unique reflections | 9888 (655) |
Multiplicity | 6.2 (3.0) |
Completeness (%) | 82.1 (60.4) |
Mean I/σ(I) | 5.6 (2.1) |
R-pim | 0.093 (0.202) |
R-work | 0.2453 (0.3325) |
R-free | 0.2870 (0.4134) |
No. of non-hydrogen atoms | 1315 |
Protein | 2443 |
Ligands | 47 |
Water molecules | 75 |
Protein residues | 162 |
Root mean square bonds (Å) | 0.006 |
Root mean square angles (°) | 0.9 |
Ramachandran favored (%) | 98 |
Ramachandran allowed (%) | 2 |
Ramachandran outliers (%) | 0 |
Clashscore | 2.01 |
Average B-factor (Å2) | 18.7 |
Protein | 18.4 |
Ligands | 13.3 |
Solvent | 24.9 |