Table 2. Crystallographic data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| PDB code | 6ax8 |
| Data collection | |
| Space group | H3 |
| a, b, c (Å) | 196.96, 196.96, 39.18 |
| Resolution (Å) | 38.18–2.60 (2.72–2.60) |
| R merge | 0.198 (1.085) |
| R p.i.m. | 0.081 (0.526) |
| Observed reflections | 91700 (11269) |
| Unique reflections | 17391 (2110) |
| Mean I/σ(I) | 7.3 (2.3) |
| Multiplicity | 5.3 (5.3) |
| Wilson B factor (Å2) | 33.9 |
| Completeness (%) | 99.9 (99.9) |
| CC1/2 | 0.989 (0.709) |
| Refinement | |
| Resolution (Å) | 38.18–2.60 |
| Reflections used | 16441 |
| R work/R free | 0.237/0.246 |
| No. of atoms | |
| Protein | 3980 |
| Met-AMP | 31 |
| Water | 38 |
| No. of residues | 509 |
| Average B factors (Å2) | |
| All atoms | 60.7 |
| Protein | 60.5 |
| Met-AMP | 95.6 |
| Water | 51.8 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.009 |
| Bond angles (°) | 1.29 |
| Ramachandran plot† | |
| Favored (%) | 97 |
| Outlier (%) | 0 |
| Met-AMP | |
| LLDF‡ | 1.13 |
| RSR§ | 0.24 |
†
Ramachandran plot statistics as reported by the wwPDB validation report.
‡
Local ligand density fit as reported by the wwPDB validation report.
§
Real-space R value as reported by the wwPDB validation report.