Table 1. X-ray data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| OsSERK2 | D128N mutant | |
|---|---|---|
| PDB code | 4q3g | 4q3i |
| Resolution () | 502.78 (2.802.78) | 502.35 (2.392.35) |
| Space group | P212121 | P21 |
| Unit-cell parameters (, ) | a = 49.9, b = 81.7, c = 126.5, = = = 90 | a = 67.9, b = 50.6, c = 83.2, = = 90, = 113.3 |
| Total reflections | 43101 | 80877 |
| Unique reflections | 13469 | 22466 |
| Average multiplicity | 3.2 (3.0) | 3.6 (2.5) |
| Completeness (%) | 93.2 (94.5) | 95.0 (71.1) |
| I/(I) | 7.75 (1.52) | 10.4 (1.34) |
| R merge † | 0.13 (0.69) | 0.11 (0.52) |
| R factor | 0.24 | 0.24 |
| R free | 0.28 | 0.29 |
| Geometry statistics | ||
| R.m.s. deviations from ideal geometry‡ | ||
| Bonds () | 0.003 | 0.002 |
| Angles () | 0.9 | 0.6 |
| MolProbity analysis§ | ||
| Ramachandran plot | ||
| Favored (%) | 95 | 94 |
| Outliers (%) | 0 | 0.2 |
| Rotamer outliers (%) | 0.8 | 0.3 |
| Clashscore | 8.6 | 6.0 |
