TABLE 2.
Data collection and structural refinement statisticsa
| Statistic | Result |
||
|---|---|---|---|
| VP1 N221Q | VP1 N221W | VP1 P223M | |
| Space group | C2 | C2 | C2 |
| Unit cell dimensions | |||
| a, b, c (Å) | 149.71, 95.79, 128.51 | 149.34, 95.98, 128.5 | 149.72, 95.63, 128.51 |
| α, β, γ (°) | 90.0, 110.4, 90.0 | 90.0, 110.5, 90.0 | 90.0, 110.40, 90.0 |
| Resolution (Å) | 50–1.90 (1.95–1.90) | 50–1.8 (1.85–1.80) | 50–2.10 (2.15–2.10) |
| No. of unique reflections | 131,987 (8,272) | 155,280 (10,329) | 98,969 (7,258) |
| No. of observed reflections | 538,018 (24,462) | 633,087 (29,258) | 378,369 (27,027) |
| Rmeas (%) | 11.9 (91.0) | 9.2 (84.9) | 17.3 (96.6) |
| I/σI | 9.43 (1.7) | 11.7 (1.5) | 9.2 (1.7) |
| CC1/2 (%) | 99.7 (82.1) | 99.8 (59.1) | 99.2 (65.2) |
| Completeness (%) | 98.1 (83.5) | 98.8 (88.5) | 99.8 (99.3) |
| Wilson B-factor (Å2) | 31.9 | 30.7 | 29.8 |
| Refinement | |||
| Rwork, Rfree (%) | 19.1, 22.9 | 16.0, 18.6 | 18.0, 21.8 |
| No. of atoms | |||
| Protein | 10,061 | 10,096 | 10,058 |
| Water | 724 | 873 | 530 |
| Avg B-factor (Å2) | |||
| Protein | 31.2 | 26.7 | 29.1 |
| Water | 35.8 | 33.7 | 30.8 |
| RMS deviations | |||
| Bond length (Å) | 0.008 | 0.007 | 0.008 |
| Bond angle (°) | 1.315 | 1.269 | 1.308 |
a
Values for the highest resolution bins are given in parentheses. meas, measured; RMS, root mean square.