Table 2. Crystallographic data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Data collection | |
| Space group | P212121 |
| Unit-cell parameters (Å) | a = 52.83, b = 89.72, c = 96.96 |
| Resolution (Å) | 19.9–1.30 (1.35–1.30) |
| Reflections (observed/unique) | 561207/112448 |
| R merge (%) | 6.4 (37.1) |
| 〈I/σ(I)〉 | 13.1 (2.4) |
| Completeness (%) | 98.7 (87.2) |
| CC1/2 † | 99.8 (87.7) |
| Multiplicity | 5.3 |
| Wilson B value (Å2) | 14.6 |
| Refinement | |
| R work/R free (%) | 14.66/16.61 |
| R all ‡ (%) | 14.76 |
| Reflections used (R all/R free) | 112422/5671 |
| Protein/solvent atoms | 3212/725 |
| Average B (Å2) | |
| Protein | 15.8/17.4 |
| Solvent | 29.7 |
| R.m.s.d., bonds (Å) | 0.006 |
| R.m.s.d., angles (°) | 1.29 |
| Ramachandran plot (%) | |
| Most favoured regions | 88.7 |
| Additionally allowed regions | 10.7 |
†
CC1/2 is the correlation between random half-sets of data (Karplus & Diederichs, 2012 ▶).
‡
Calculated using all reflections at the completion of refinement.