Table 1. Data collection and refinement statistics.
| Wavelength (Å) | 0.9793 |
|---|---|
| Resolution range (Å) | 19.95–2.19 (2.27–2.19) |
| Space group | P1 |
| Unit cell (a, b, c; Å) (α, β, γ; °) |
50.961, 58.402, 83.286 104.284, 98.494, 113.198 |
| Total reflections | 164,051 (15,510) |
| Unique reflections | 40,853 (3771) |
| Multiplicity | 4.0 (3.9) |
| Completeness (%) | 96.08 (89.79) |
| I/σ(I) | 6.73 (1.18) |
| Wilson B-factor | 31.15 |
| R-merge | 0.1641 (1.094) |
| R-meas | 0.1894 (1.271) |
| R-pim | 0.09332 (0.636) |
| CC1/2 | 0.99 (0.438) |
| CC* | 0.997 (0.781) |
| Reflections used in refinement | 40,587 (3771) |
| Reflections used for R-free | 2008 (181) |
| R-work | 0.1990 (0.2864) |
| R-free | 0.2394 (0.3374) |
| CC(work) | 0.943 (0.699) |
| CC(free) | 0.907 (0.601) |
| Number of non-hydrogen atoms | 5837 |
| Macromolecules | 5,419 |
| Solvent | 418 |
| Protein residues | 658 |
| RMS (bonds) | 0.002 |
| RMS (angles) | 0.50 |
| Ramachandran favored (%) | 97.82 |
| Ramachandran allowed (%) | 2.18 |
| Ramachandran outliers (%) | 0.00 |
| Rotamer outliers (%) | 0.00 |
| Clashscore | 5.76 |
| Average B-factor | 40.87 |
| Macromolecules | 40.74 |
| Solvent | 42.65 |
Statistics for the highest-resolution shell are shown in parentheses.