Table 1. Statistics of the diffraction data and structure refinement.
Values in parentheses are for the highest resolution shell.
| hSuv3AMPPNP | hSuv3RNA | |
|---|---|---|
| Data collection | ||
| Beamline | 22ID, SER-CAT | 22ID, SER-CAT |
| Temperature (K) | 100 | 100 |
| Wavelength () | 0.9754 | 1.0000 |
| Space group | P32 | P32 |
| Unit-cell parameters | ||
| a = b () | 89.39 | 94.43 |
| c () | 88.07 | 88.03 |
| Resolution limits () | 402.08 (2.152.08) | 302.9 (3.02.9) |
| Reflections measured | 179028 (13871) | 107954 (11070) |
| Unique reflections | 47146 (4565) | 19390 (1957) |
| Multiplicity | 3.8 (3.2) | 5.6 (5.5) |
| Completeness, native (%) | 99.6 (96.5) | 100 (100) |
| Completeness, anomalous (%) | 98.6 (91.1) | |
| R merge (%) | 5.7 (32.6) | 7.5 (40.7) |
| Average I/(I) | 26.9 (3.4) | 22.6 (4.5) |
| Wilson B factor (2) | 33.9 | 75.2 |
| Refinement | ||
| Resolution () | 402.08 | 302.9 |
| R factor (%) | 15.96 | 17.72 |
| Working reflections | 46139 | 18398 |
| R free (%) | 20.32 | 23.78 |
| Free reflections | 965 | 991 |
| Protein atoms | 4854 | 4869 |
| RNA atoms | 107 | |
| AMPPNP atoms | 31 | |
| Ion sites (Na+, Cl, azide) | 5 | |
| Water sites | 522 | |
| R.m.s.d. bonds () | 0.026 | 0.016 |
| R.m.s.d. angles () | 1.98 | 1.66 |
| Ramachandran statistics | ||
| Most favored | 517 [95.7%] | 475 [87.5%] |
| Allowed | 22 [4.1%] | 63 [11.6%] |
| Generously allowed | 0 | 3 [0.6%] |
| Disallowed | 1 [0.2%] | 2 [0.4%] |
| PDB code | 3rc3 | 3rc8 |