Table 1.
Crystallographic data collection and refinement statistics.
| Data Collection and Refinement Statistics (Molecular Replacement) | |
|---|---|
| CNP058-Bim BH3 domain | |
| Data collection | |
| Space group | C121 |
| No. of molecules in asymmetric unit | 1 + 1 |
| Cell dimensions | |
| a, b, c (Å) | 73.79, 34.67, 71.73 |
| α, β, γ, (°) | 90.00, 114.92, 90.00 |
| Wavelength (Å) | 0.9537 |
| Resolution (Å) | 33.46–2.45 (2.55–2.45) |
| No. unique reflections | 6021 (703) |
| Rsym or Rmerge | 0.097 (0.716) |
| I/σI | 6.1 (1.1) |
| CC1/2 | 0.99 (0.45) |
| Wilson B-factor | 40.9 |
| Completeness (%) | 97.2 (98.4) |
| Redundancy | 2.7 (2.7) |
| Refinement | |
| Resolution (Å) | 2.45 |
| No. reflections | 6017 |
| Rwork/Rfree | 0.2126/0.2453 |
| No. atoms | |
| Protein | 1340 |
| Water | 10 |
| B-factors | |
| Protein | 52.91 |
| Water | 56.11 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.003 |
| Bond angles (°) | 0.56 |
| Ramachandran statistics (%) | |
| Favored | 97.42 |
| Allowed | 2.58 |
| Disallowed | 0.00 |
Values in parentheses are for highest-resolution shell.