Table 1. Crystallographic data and refinement statistics.
| Lmod1ABS2 | TL1ABS2 | GS1-TL1ABS2:actin | |
|---|---|---|---|
| Data collection | |||
| Space group | P 21 21 21 | P 21 21 21 | P 1 21 1 |
| Cell dimensions | |||
| a, b, c (Å) | 49.02, 52.19, 75.89 | 53.47, 53.94, 75.60 | 71.23, 70.80, 81.32 |
| α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 101.74, 90.0 |
| Wavelength (Å) | 1.5418 | 1.5418 | 1.5418 |
| Resolution (Å) | 41.2–1.54 (1.64–1.54)* | 43.9–2.1 (2.2–2.1) | 39.8–2.4 (2.49–2.4) |
| Rmerge (%) | 3.7 (43.6) | 5.8 (30.2) | 8.4 (30.8) |
| I/σ I | 23.9 (2.4) | 18.9 (2.0) | 15.2 (2.1) |
| No. of unique reflections | 29,387 (4,851) | 12,763 (1,264) | 27,918 (1,649) |
| Completeness (%) | 98.6 (92.2) | 95.5 (73.1) | 89.5 (51.1) |
| Redundancy | 5.2 (2.3) | 7.0 (1.2) | 5.2 (1.8) |
| Wilson B-factor (Å2) | 13.13 | 26.0 | 26.8 |
| Refinement | |||
| Resolution (Å) | 41.2–1.54 (1.59–1.54) | 43.9–2.1 (2.17–2.10) | 39.8–2.4 (2.49–2.4) |
| No. of reflections | 29,335 (2,528) | 12,725 (896) | 27,905 (1,556) |
| Completeness (%) | 98.6 (86.3) | 95.5 (69.2) | 89.5 (50.5) |
| Rwork (%) | 15.6 (26.3) | 19.1 (23.6) | 18.5 (24.6) |
| Rfree (%) | 17.7 (31.1) | 25.4 (33.0) | 24.3 (29.8) |
| No. of residues | 173 | 184 | 682 |
| No. of atoms | 1,692 | 1,547 | 5,582 |
| Protein | 1,461 | 1,425 | 5,366 |
| Ligand | 40 | 9 | 34 |
| Solvent | 191 | 113 | 182 |
| r.m.s. deviations | |||
| Bond lengths (Å) | 0.010 | 0.015 | 0.015 |
| Bond angles (°) | 1.29 | 1.66 | 1.70 |
| B-factors (Å2) | |||
| Protein | 16.4 | 39.2 | 38.0 |
| Ligand | 36.7 | 59.0 | 21.5 |
| Solvent | 30.3 | 41.0 | 31.9 |
| Ramachandran(%) | |||
| Favoured | 98.0 | 99.0 | 97.0 |
| Outliers | 0.0 | 0.0 | 0.15 |
| PDB Code | 4Z79 | 4Z8G | 4Z94 |
*Values in parenthesis correspond to highest resolution shell.