Table 1.
Data collection and refinement statistics
| Data collectiona | |
|---|---|
| Space group | P21 |
| No. of molecules per asymmetric unit | 4 |
| Unit cell dimensions | |
| a, b, c (Å) | 72.9, 112.8, 109.5 |
| α, β, γ (°) | 90, 93.8, 90 |
| Wavelength (Å) | 1.0093 |
| Resolution (Å) | 50-2.5 (2.59-2.5) |
| Rsymm (%) | 26.6 |
| Linear R-factorb | 0.072 (0.266) |
| Square R-factorc | 0.065 (0.232) |
| <IσI>d | 24 (3.6) |
| Completeness (%) | 96.4 (89.6) |
| Redundancy | 3.5 |
| Refinement | |
| Resolution (Å) | 20-2.5 (2.53-2.5) |
| No. reflections (working/test) | 29795/1561 |
| Rwork/Rfree (%)e | 24.9/28.1 |
| No. of nonhydrogen protein atoms | 10584 |
| GDP molecules | 4 |
| Water molecules | 136 |
| R.m.s. deviations | |
| Bonds (Å) | 0.062 |
| Angles (°) | 1.9 |
| Overall B-factors (chain B:chain F dimer) | |
| G-alpha | 41.9 (38.2) |
| KB-752 peptide | 52.4 (43.9) |
| GDP | 35.6 (32.6) |
| Water | 32.5 |
| Ramachandran plot (% in region) | |
| Most favored | 88.6 |
| Allowed | 9.0 |
| Generously allowed | 2.4 |
| Disallowed | 0.0 |
a
Numbers in parentheses pertain to the highest resolution shell.
b
Linear R-factor = Σ(|I - <I>|)/Σ(I)
c
Square R-factor = Σ(|I - <I>|)2 /Σ(I)2
d
<I/σI>, Mean signal-to-noise, where I is the integrated intensity of a measured reflection and σI is the estimated error in measurement.
e
Rwork = Σ(|Fp - Fp(calc)|)/ΣFp, where Fp and Fp(calc) are the observed and calculated structure factor amplitudes. Rfree is calculated similarly using test set reflections never used during refinement.