Table 2.
Data collection and refinement statistics (molecular replacement).
| WT ZTL Dark | G80R Dark | ZTL-Dark V48I:G80R | ZTL-Light V48I:G80R | |
|---|---|---|---|---|
|
PDB ID
Data collection |
5SVG | 5SVU | 5SVV | 5SVW |
| Space group | P3(1)21 | P3(1)21 | P3(1)21 | P3(1)21 |
| Cell dimensions | ||||
| a, b, c (Å) | 85.0, 85.0, 199.5 | 85.4, 85.4, 200.0 | 85.4, 85.4, 198.8 | 86.2, 86.2, 200.5 |
| abg (°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 |
| Resolution (Å) * | 2.5 (2.59–2.5) | 2.6 (2.69–2.6) | 2.10 (2.18–2.1) | 2.29 (2.35–2.29) |
| Rsym or Rmerge | 7.6 (27.9) | 12.8 (23.4) | 5.6 (25.1) | 6.1 (19.9) |
| I / sI | 35.0 (11.1) | 55.4 (22.7) | 36.6 (12.6) | 19.8 (5.5) |
| Completeness (%) | 97.1 (98.6) | 97.9 (99.8) | 99.3 (99.0) | 87.0 (84.3) |
| Redundancy | 9.0 | 10.0 | 7.9 | 2.6 |
| Refinement | ||||
| Resolution (Å) | 2.5 | 2.6 | 2.1 | 2.3 |
| No. reflections | 28790 | 26153 | 49510 | 34582 |
| Rwork / Rfree | 17.8/24.0 | 16.4/23.2 | 16.3/20.0 | 16.2/22.8 |
| No. atoms | ||||
| Protein | 3964 | 3990 | 3986 | 3950 |
| Ligand/ion | 124 | 124 | 148 | 124 |
| Water | 142 | 139 | 343 | 269 |
| B-factors | ||||
| Protein | 47.3 | 46.8 | 34.6 | 37.5 |
| Ligand/ion | 35.2 | 35.4 | 27.6 | 27.5 |
| Water | 46.8 | 42.4 | 41.6 | 39.6 |
| R.m.s. deviations | ||||
| Bond lengths (Å) | 0.014 | 0.014 | 0.012 | 0.014 |
| Bond angles (°) | 1.58 | 1.61 | 1.46 | 1.65 |
| Ramachandran outliers |
2 (0.4%) | 3 (0.62%) | 1 (0.21%) | 1 (0.21%) |
*Highest-resolution shell is shown in parentheses.