Table 1.
Data collection and refinement statistics for crystal structures of IMPα and HeV M NLS1 and NLS2.
| Data Collection and Processing | IMPα2:HeV M NLS1 | IMPα2:HeV M NLS2 | IMPα3:HeV M NLS1 |
|---|---|---|---|
| Wavelength (Å) | 0.9537 | 0.9537 | 0.9537 |
| Resolution range (Å) | 24.42–1.9 (1.94–1.9) |
19.78–2.10 (2.16–2.10) | 29.78–2.75 (2.9–2.75) |
| Space group | P 21 21 21 | P 21 21 21 | P 21 21 21 |
| Unit cell (Å, o) | 78.49 89.86 99.83 90 90 90 | 78.08 89.50 97.06, 90 90 90 |
49.06 64.27 158.58 90 90 90 |
| Total reflections | 405,486 (26,486) | 167,351 (12,946) | 154,985 (23,139) |
| Unique reflections | 56,298 (3749) | 40,357 (3253) | 13,681 (1966) |
| Multiplicity | 7.2 (7.1) | 4.1 (4.0) | (11.8) |
| Completeness (%) | 99.9 (100) | 99.9 (99.9) | 99.9 (100) |
| Mean I/sigma (I) | 11.9 (1.5) | 11.0 (1.9) | 7.8 (2.3) |
| Wilson B-factor Å2 | 29.65 | 35.12 | 55.58 |
| R-merge | 0.085 (1.376) | 0.063 (0.696) | 0.181 (1.032) |
| R-pim | 0.050 (0.820) | 0.035 (0.400) | 0.078 (0.446) |
| CC1/2 | 0.998 (0.602 | 0.998 (0.734) | 0.995 (0.887) |
| Refinement | |||
| Number of reflections | 56,237 (5567) | 40,289 (3941) | 13,635 (1323) |
| Number of R-free reflections | 2864 (322)) | 1981(180) | 671 (80) |
| R-work % | 0.1728 (0.2853) | 0.1791 (0.2520) | 0.2411 (0.3185) |
| R-free % | 0.1900 (0.3147) | 0.2053 (0.3058) | 0.2811 (0.3553) |
| RMS (bonds) | 0.015 | 0.006 | 0.003 |
| RMS (angles) | 1.18 | 0.77 | 0.58 |
| Ramachandran | |||
| favored (%) | 98.6 | 98.14 | 97.85 |
| allowed (%) | 1.4 | 1.86 | 2.15 |
| outliers (%) | 0.00 | 0.00 | 0.00 |
| Average B-factor Å2 | 43.57 | 50.33 | 72.53 |
| Clash score | 1.54 | 4.07 | 4.92 |
| PDB code | 8FUA | 8FUC | 8FUB |