Table 2. SMX data-refinement statistics.
| A2AAR | Lysozyme | Phycocyanin | Proteinase K | |
|---|---|---|---|---|
| Total reflections | 25266 | 29412 | 17002 | 29685 |
| No. of reflections used in refinement | 7702 | 7164 | 6280 | 5294 |
| R work/R free (%) | 24.8/28.6 | 22.8/26.8 | 17.2/20.5 | 22.5/24.3 |
| No. of atoms | 3140 | 1023 | 2626 | 2041 |
| Protein | 2989 | 1002 | 2499 | 2032 |
| Water and others (ligands or ions) | 151 | 21 | 127 | 9 |
| Average B value (Å2) | 109.2 | 34.9 | 48.2 | 61.3 |
| R.m.s. deviations from ideal values | ||||
| Bonds (Å) | 0.009 | 0.013 | 0.011 | 0.008 |
| Angles (°) | 1.614 | 1.306 | 2.093 | 1.126 |
| Ramachandran plot statistics (%) | ||||
| Favored | 98.9 | 97.6 | 98.8 | 97.1 |
| Allowed | 1.1 | 2.4 | 1.2 | 2.5 |
| Disallowed | 0 | 0 | 0 | 0.4 |
| Rotamer outliers | 0 | 1 | 2 | 0 |
| PDB code | 5uvi | 5uvj | 5uvk | 5uvl |