Table 1.
Data collection and refinement statistics
| Synchrotron | Laboratory source | ||||
| a, b, c (Å); β(°) | 72.51, 72.36, 67.09, 118.17 | 62.69, 71.98, 62.68, 113.06 | |||
| Space group | C2 | C2 | |||
| Resolution (Å) | 30–2.70 | 30–2.25 | |||
| Mosaicity (°) | 1.50 | 1.25 | |||
| Wavelength (Å) | 0.9796a | 0.9795b | 0.9400c | 1.54178 | |
| Completeness (%)a | 85 (74) | 84 (72) | 91 (85) | 98.9 (96.2) | |
| Redundancya | 0.85 (0.78) | 0.84 (0.72) | 0.90 (0.86) | 2.3 (1.8) | |
| Unique reflections | 13302 | 13254 | 14192 | 22062 | |
| I/σIa | 7.9 (1.8) | 8.4 (1.5) | 9.2 (1.9) | 11.2 (3.9) | |
| Rmerge (%)a | 9.1 (61.0) | 10.0 (63.2) | 8.2 (55.0) | 6.0 (22.1) | |
| Anomalous differences (%) | 9.0 | 8.2 | 7.1 | 3.3 | |
| Dispersive differences (%) | 3.3peak−inflection; 5.4peak−remote; 4.1remote−peak | — | |||
| Figure of meritb | 0.53 (0.79) | — | |||
| Rcryst,Rfreeb (%) | 19.8, 23.8 | ||||
| Number of parameters | 7387 | ||||
| Number of restraints | 7258 | ||||
| Parameter/data ratio | 3.96 | ||||
| Root mean square deviation | Bond (Å) | Angle (°) | Dihedral (°) | Planarity (Å) | |
| 0.007 | 1.4 | 16.5 | 0.03 | ||
| Cα | Mainchain | Sidechain | Solvent | ||
| Number of atoms | 241 | 962 | 881 | 67 | |
| Average B-factors (Å2) | 27.3 | 28.2 | 38.4 | 37.0 | |
a Highest resolution shell data is shown in parentheses.
b FOM after density modification with noncrystallographic symmetry averaging is shown in parentheses.
c Randomly selected 8% of the reflections.