Table 3.
Vps75 data collection, phasing and refinement statistics
| Native | SeMet | Hg | |||||
|---|---|---|---|---|---|---|---|
| Data collection | |||||||
| Space group | P21212 | P212121 | P212121 | ||||
| Cell dimensions a, b, c (Å) | 80.7, 84.6, 86.2 | 80.6, 84.8, 86.2 | 80.5, 84.5, 86.3 | ||||
|
Peak |
Inflection |
Remote |
Peak |
Inflection |
Remote |
||
| Wavelength | 1.1 | 0.9793 | 0.9792 | 0.9640 | 1.0090 | 1.0060 | 0.9930 |
| Resolution (Å) | 50−1.85 | 50−2.0 | 50−2.0 | 50−2.0 | 50−2.0 | 50−2.0 | 50−2.0 |
| Rmergea | 0.081 (0.421) | 0.105 (0.433) | 0.081 (0.421) | 0.074 (0.414) | 0.077 (0.557) | 0.067 (0.487) | 0.074 (0.550) |
| I/ σIa | 11.4 (4.1) | 9.7 (3.2) | 11.4 (4.1) | 11.4 (4.1) | 9 (2) | 10.6 (2.5) | 9 (2) |
| Complete (%)a | 90 (93) | 90 (93) | 90 (93) | 90 (93) | 100 (100) | 100 (100) | 100 (100) |
| Redundancya | 8 (7.6) | 8 (7.8) | 8 (7.6) | 8 (8) | 7 (7) | 7 (7) | 7 (7) |
| Refinement | |||||||
| Resolution (Å) | 50−1.85 | ||||||
| No. reflectionsb | 92,802 | ||||||
| Rwork / Rfree | 0.23 / 0.25 | ||||||
| No. atoms | |||||||
| Protein | 3,727 | ||||||
| Water | 266 | ||||||
| B-factors | |||||||
| Protein | 41.9 | ||||||
| Water | 41.6 | ||||||
| r.m.s. deviations | |||||||
| Bond lengths (Å) | 0.006289 | ||||||
| Bond angles (°) | 1.13951 | ||||||
a
Values in parentheses are for the highest-resolution shell.
b
Reflections of |F0| > 1.0.