Table 2.
NF2152 data collection and structure statistics
| Statistics | |
|---|---|
| Data collection | |
| Beamline | Rigaku MicroMax-007HF |
| Wavelength (Å) | 1.54178 |
| Space group | P21 |
| Cell dimensions | |
| a, b, c (Å) | 36.99, 104.79, 49.45 |
| α, β, γ (°) | 90.00, 110.06, 90.00 |
| Resolution (Å)a | 28.95–1.75 (1.795–1.75) |
| Rmerge | 0.104 (0.381) |
| Wilson B-factor | 19.11 |
| 〈Ι/σΙ〉 | 12.3 (2.8) |
| Completeness (%) | 99.5 (98.8) |
| Redundancy | 4.8 (3.1) |
| No. of reflections | 170,864 |
| No. unique | 35,446 |
| Refinement | |
| Resolution (Å) | 1.75 |
| Rwork/Rfree | 0.156/0.194 |
| No. of atoms | |
| Protein | 3183 |
| Ligand | 13 (I), 12 (EDO), 13 (BTB) |
| Water | 314 |
| B-factors | |
| Protein | 18.56 |
| Ligand | 50.06 (I), 22.87 (EDO), 20.89 (BTB) |
| Water | 25.98 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.006 |
| Bond angles (°) | 0.861 |
| Ramachandran (%) | |
| Preferred | 96.3 |
| Allowed | 3.7 |
| Disallowed | 0.0 |
| PDB code | 5U22 |
a Values for highest resolution shells are shown in parentheses.