Table 1.
Data Collection and Refinement Statistics
| RacE1 | RacE2 | |
|---|---|---|
| Data Collection | ||
| Space group | C2 | P21 |
| Cell parameters: | ||
| a,b,c (Å) | 85.78(1)a, 49.66(1), 198.25(3) | 56.35(5), 90.52(6), 116.80(9) |
| β (deg) | 90.06 (7) | 100.02 (2) |
| Resolution (Å) | 20.0–1.75 | 20.0–2.11 |
| No. reflections recorded | 561,856 | 289,750b |
| No. averaged reflections | 82,804 | 77,916b |
| R merge (%) | 6.4 (15.3)c | 12.7 (44.0) |
| I/σI | 23.0 (11.8) | 7.15 (3.01) |
| % completeness | 97.5 (93.0) | 99.0 (100.0) |
| Refinement | ||
| Resolution range | 20.0 – 1.75 | 20.0 – 2.11 |
| no. reflections in working set | 78,689 (93.0%) | 73,972 (93.4%) |
| no. reflections in test set | 4178 (4.9%) | 3930 (5.0%) |
| Rcrys (%) | 15.9 | 20.3 |
| Rfree (%) | 19.4 | 24.1 |
| Wilson B | 19.1 | 35.0 |
| average B-factor (Å2) | ||
| protein | 15.0 | 39.9 |
| water | 37.8 | 46.1 |
| D-glutamate | 9.8 | 26.4 |
| no. water molecules | 1167 | 486 |
| no. of protein molecules in asymmetric unit | 3 | 4 |
| No. of protein atoms in final model | 6542 | 8357 |
| rmsd from ideal geometry: | ||
| Bond lengths (Å) | 0.009 | 0.009 |
| Bond angles (deg) | 1.48 | 1.41 |
| Ramachandran plot | ||
| allowed (%) | 99.6 | 99.1 |
| generous (%) | 0.4 | 0.9 |
| disallowed (%) | 0.0 | 0.0 |
a
Estimated standard error in unit cell edge lengths and angles are given in parentheses.
b
Number of reflections recoreded are for data to 1.99 Å resolution. Cuttoff resolution is 2.11 Å.
c
Statistics for highest resolution shell are given in parentheses.