TABLE 2.
Data collection statistics for the structure of geranylgeranylated RhoA·GMPPNP-GG·RhoGDI complex
| Data collection | RhoA·GPPNHP-GG·RhoGDI |
|---|---|
| Wavelength (Å)/beamline | 0.9537/AS-MXII |
| Resolution (highest shell, Å) | 68.0–2.8 (2.9–2.8) |
| Space group | P212121 |
| Cell constants (Å; °) | a = 46.0, b = 71.6, c = 136.0; α = β = γ = 90 |
| VM | |
| Total measurements | 56,189 |
| Unique reflections | 20,741 |
| Average redundancy | 2.7 (2.7) |
| I/σ | 12.3 (3.6) |
| Completeness (%) | 97.0 (98.1) |
| Rsyma | 6.9 (26.5) |
| Wilson B-factor (Å2) | 41.7 |
| Refinement | 2.8 |
| Resolution (highest shell, Å) | 2.8 (2.87–2.8) |
| Rb | 20.6 (20.7) |
| Rfreec | 28.1 (32.5) |
| Root mean square deviation bonds (Å)/angles (°) | 0.015/1.743 |
| B-factor deviation | |
| Bonds/angles (Å2) | |
| Main chain | 0.716/1.415 |
| Side chain | 2.095/3.696 |
| Residues in ramachandran core (%)d | 92.0 |
| Protein atoms | 2997 |
| Solvent atoms | 80 |
| Ligand atoms | 54 |
| Average B-factor (Å2) | 32.7 |
| PDB accession code | |
a Rsym = ΣΣ I(h)j − 〈I(h)〉/ΣΣI(h)j, where I(h)j is the measured diffraction intensity, and the summation includes all observations.
b R is the R-factor = (Σ|Fo| − Σ|Fc|)/Σ|Fo|.
c Rfree is the R-factor calculated using 5% of the data that were excluded from the refinement.
d Ramachandran core refers to the most favored regions in the ϕ/ψ-Ramachandran plot, as defined by Laskowski et al. (61).