Table 1.
Summary of data collection and refinement statistics for the crystal structure of HPIMT
| All data | Last shell | |
| Data collection: | ||
| Resolution range (Å) | 50–1.6 | 1.66–1.60 |
| Rsym (l) | 0.039 | 0.124 |
| Completeness (%) | 95.7 | 87.1 |
| Redundancy | 1.7 | 1.4 |
| No. of unique reflections | 28,488 | 2587 |
| <l/σ(l)> | 29.6 | |
| Refinement statistics: | ||
| Resolution range (Å) | 15–1.6 | |
| No. of refls. used in refinement | 27,830 | |
| No. of refls. used in working set | 26,446 | |
| No. of refls. in free R set | 1384 | |
| R factor (working set) | 0.180 | |
| R factor (test set) | 0.211 | |
| Rms deviations from ideal: | ||
| Bond lengths (Å) | 0.004 | |
| Bond angles (degrees) | 1.30 | |
| Dihedral angles (degrees) | 23.70 | |
| Improper angles (degrees) | 0.83 | |
| No. of water molecules | 279 | |