Table 1.
Data collection and refinement statistics
| Crystal Form 1 | Crystal Form 2 |
|
|---|---|---|
| Data collection1 | ||
| Space group | P3221 | P21 |
| Cell dimensions | ||
| a, b, c (Å) | 64.2, 64.2, 275.5 | 105.2, 65.8, 108.5 |
| α, β, γ (°) | 90, 90, 120 | 90, 109.0, 90 |
| Resolution (Å)2 | 40 – 2.35 (2.49 – 2.35) | 35 – 2.69 (2.85 – 2.69) |
| Rmeas | 0.130 (1.285) | 0.135 (0.744) |
| I / σI | 10.7 (2.0) | 10.8 (2.3) |
| Completeness (%) | 99.7 (99.5) | 92.7 (92.6) |
| Redundancy | 9.1 (9.1) | 3.2 (3.1) |
| Refinement | ||
| Resolution (Å)2 | 40 – 2.35 (2.44 – 2.35) | 35 – 2.69 (2.76 – 2.69) |
| No. reflections | 28,621 (2,823) | 36,552 (1,838) |
| Rwork / Rfree | 0.227/0.256 (0.350/0.356) | 0.220/0.254 (0.321/0.366) |
| No. atoms | ||
| Protein | 2,618 | 5,370 |
| Water | 77 | 287 |
| B-factors | ||
| Protein | 69.8 | 47.15 |
| Water | 59.6 | 38.74 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.003 | 0.003 |
| Bond angles (°) | 0.72 | 0.72 |
1
One crystal was used for each data set.
2
Values in parentheses are for highest-resolution shell.