TABLE 1.
Data collection and refinement statistics
Values in parentheses are for highest resolution shell.
| CcmP form 1 | CcmP form 2 | |
|---|---|---|
| Space group | P21212 | P212121 |
| Cell dimensions | ||
| a, b, c | 119.35, 137.36, 152.69 Å | 175.34, 176.20, 200.54 Å |
| α, β, γ | 90.0, 90.0, 90.0° | 90.0, 90.0, 90.0° |
| Resolution | 39.27 to 2.51 Å (2.57 to 2.51 Å) | 39.41 to 3.30 Å (3.38 to 3.30 Å) |
| R merge | 25.6% (112.2%) | 21.3% (75.9%) |
| I/σ | 7.0(1.6) | 9.71(2.36) |
| Completeness | 97.3% (86.9%) | 98.6% (96.3%) |
| Redundancy | 6.3 (5.2) | 4.3 (4.2) |
| No. of hexamers/asymmetric unit | 1 | 2 |
| Refinement | ||
| Rwork | 25.7% | 19.5% |
| Rfree | 29.8% | 22.2% |
| Ramachandran plot | ||
| Most favored region | 99.0% | 97.5% |
| Allowed region | 1.0% | 2.5% |
| Outlier region | 0.0% | 0.0% |