Table 2. Crystallographic data statistics.
| Crystallographic data statistics | ||
|---|---|---|
| Source | Rotating anode | (SER-CAT) 22-ID |
| unit cell | a = b = 56.21 Å, c = 132.61 Å; | a = b = 56.14 Å, c = 133.75 Å; |
| α = β = 90°, γ = 120° | α = β = 90°, γ = 120° | |
| Space Group | P32 | P32 |
| Resolution (Å) | 50.0–2.45 | 50–2.05 |
| # of observations | 66 064 | 155 656 |
| unique reflections | 17 190 | 29 211 |
| Rsym(%)(last shell)a | 6.1 (51.0) | 4.3 (38.0) |
| I/σI (last shell) | 15.7 (2.7) | 10.8 (2.6) |
| Mosaicity range | 1.26–1.31 | 0.22–0.43 |
| completeness(%) (last shell) | 99.9 (100.0) | 98.3 (79.6) |
| Refinement statistics | ||
| Rcryst(%)b | 17.8 | |
| Rfree(%)c | 22.5 | |
| # of waters | 227 | |
| Overall Mean B (Å) | ||
| Chains A, B, C, D | 27.2, 30.5, 27.6, 30.92 | |
| Solvent | 30.25 | |
| r.m.s. deviation from ideal values | ||
| bond length (Å) | 0.004 | |
| bond angle (°) | 0.83 | |
| dihedral angle (°) | 14.12 | |
| Ramachandran Statisticsd | ||
| residues in: | ||
| favored (98%) regions (%) | 98.7 | |
| allowed (>99.8%) regions (%) | 1.3 | |
a Rsym = ∑ (| Ii - < I>|) / ∑(Ii) where Ii is the intensity of the ith observation and <I> is the mean intensity of the reflection.
b Rcryst = ∑∥ Fo| - | Fc ∥ / ∑| Fo| calculated from working data set.
c Rfree was calculated from 5% of data randomly chosen not to be included in refinement.
d Ramachandran results were determined by MolProbity.