Table 1.
Data Collection, Structure Solution, and Refinement Statistics
| Data Collection | ||
|---|---|---|
| Space Group | P1 | |
| Unit cell parameters | a, b, c (Å) | 51.96, 80.50, 88.06 |
| α, β, γ (°) | 80, 80, 90 | |
| Resolution range (Å) | 50.00 - 2.55 (2.59 – 2.55) | |
| Unique reflections | 45147 (1762) | |
| Redundancy | 3.4 (2.9) | |
| Completeness (%) | 90.9 (75.6) | |
| Wilson B factor | 18.2 | |
| I/Iσ | 13.59 (3.19) | |
| CC1/2 last shell | (0.87) | |
|
| ||
| Phase Determination, Structure Solution, and Refinement | ||
|
| ||
| Figure of merit | 0.8036 | |
| Resolution (Å) | 50.00 - 2.55 (2.59 – 2.55) | |
| No. of reflections | 45147/2330 | |
| 1762/89 | ||
| Completeness (%) | 90.9 (75.6) | |
| Total No. of non-hydrogen atoms | 3745 | |
| Rwork/Rfree (%) | 18.0/23.8 | |
| RMS deviations | Bond lengths (Å) | 0.014 |
| Bond angles (°) | 1.719 | |
| B-factors (Å2) | Protein | 39.2 (chain A) |
| Protein | 37.7 (chain B) | |
| Protein | 48.9 (chain C) | |
| Protein | 45.2 (chain D) | |
| Protein | 62.4 (chain E) | |
| Protein | 60.7 (chain F) | |
| Water | 34.3 | |
| Ramachandran plot outliers (%) | 0.00% | |
| Average B, all atoms (Å2) | 40.3 | |
| Molprobity Clashscore, all atoms | 4.43 (99th percentile) | |
| Molprobity Score | 1.89 (90th percentile) | |
Values in parentheses are for the shell with the highest resolution.