Table 2. X-ray data-collection and refinement statistics for MmIMPase 1 and HsIMPase 1.
Values in parentheses are for the highest resolution shell.
| MmIMPase 1 | HsIMPase 1 | |
|---|---|---|
| Space group | P21 | P212121 |
| Unit-cell parameters (Å, °) | a = 86.78, b = 81.49, c = 97.14, β = 133.7 | a = 60.68, b = 76.05, c = 118.09 |
| Temperature (K) | 100 | 100 |
| X-ray source | I04-1, Diamond Light Source | ID23-EH1, ESRF |
| Detector | Pilatus 2M | ADSC Q315r |
| Resolution (Å) | 43.34–2.43 (2.56–2.43) | 47.43–1.70 (1.79–1.70) |
| R merge (%) | 0.091 (0.503) | 0.047 (0.442) |
| No. of unique reflections | 46562 (6638) | 60344 (8763) |
| Completeness (%) | 98.8 (96.7) | 99.3 (100.0) |
| Average multiplicity | 6.3 (6.0) | 4.7 (4.8) |
| 〈I/σ(I)〉 | 16.4 (3.2) | 17.1 (3.5) |
| Refinement | ||
| R work | 0.163 | 0.154 |
| R free | 0.214 | 0.186 |
| Mean B value (Å2) | 41.84 | 33.14 |
| R.m.s.d. from ideal geometry | ||
| Bond lengths (Å) | 0.01 | 0.01 |
| Bond angles (Å) | 1.24 | 1.12 |
| No. of refined atoms | ||
| Protein | 8377 | 4309 |
| Heterogen | 75 | 58 |
| Solvent | 848 | 596 |
| Estimated coordinate error (Luzzati) (Å) | 0.258 | 0.213 |
| Ramachandran | ||
| Favoured (%) | 98.44 | 98.9 |
| Allowed (%) | 1.19 | 1.1 |