Table 1.
Crystallographic data and refinement statistics
| Profilin–actin– poly-Pro | Profilin–actin–poly- Pro-GAB | |
|---|---|---|
| Diffraction statistics | ||
| Space group | P 21 21 21 | C 2 |
| Cell parameters | ||
| a, b, c (Å) | 37.47, 75.46, 180.74 | 119.09, 56.59, 75.23 |
| α, β, γ (deg) | 90.0, 90.0, 90.0 | 90.0, 104.75, 90.0 |
| Resolution | ||
| Total (Å) | 47.09–1.8 | 35.05–1.5 |
| Outer shell (Å) | 1.86–1.8 | 1.55–1.5 |
| Completeness (%) | 98.1 (97.7) | 99.1 (98.2) |
| Redundancy | 7.0 (5.9) | 8.3 (7.5) |
| Unique reflections | 47 041 (4579) | 76 002 (7370) |
| R-mergea (%) | 7.6 (34.5) | 7.1 (29.4) |
| Average I/σ | 28.1 (5.7) | 32.44 (7.8) |
| Refinement statistics | ||
| R-factorb (%) | 15.8 | 15.6 |
| R-freec (%) | 20.1 | 19.0 |
| R.m.s. deviations | ||
| Bond length (Å) | 0.013 | 0.015 |
| Bond angles (deg) | 1.402 | 1.701 |
| Average B-factor | ||
| All atoms (Å2) | 14.92 | 10.84 |
| Actin/profilin/ VASP (Å2) | 13.18/14.26/28.82 | 9.13/7.17/12.34 |
| Solvent atoms (Å2) | 23.29 | 22.5 |
| PDB code | 2PAV | 2PBD |
| GAB, G-actin-binding domain; VASP, vasodilator-stimulated phosphoprotein. | ||
| Values in parentheses correspond to highest-resolution shell. | ||
| aR-merge=∑(I−〈I〉)/∑I; I and 〈I〉 are the intensity and the mean value of all the measurements for an individual reflection. | ||
| bR-factor=∑∣Fo−Fc∣/∑∣Fo∣; Fo and Fc are the observed and calculated structure factors. | ||
| cR-free, R-factor calculated for a randomly selected subset of the reflections (5%) that were omitted during the refinement. | ||