Table 1.
Heavy atom and Se-Met data statistics for human DPPIV
| Native | Se-Met | EMTSa | PIPb | |||
| Unit cell parameters | ||||||
| a (Å) | 121.8 | 121.9 | 122.2 | 121.4 | ||
| b (Å) | 124.1 | 123.0 | 123.1 | 121.7 | ||
| c (Å) | 144.5 | 145.0 | 145.8 | 144.2 | ||
| β (°) | 114.7 | 114.9 | 114.9 | 114.8 | ||
| Wavelength (Å) | 1.0 | 0.97893 | 0.97913 | 0.91837 | 1.00720 | 1.0721 |
| Resolution (Å) | 2.1 | 2.8 | 3.0 | 3.0 | 2.8 | 3.0 |
| Total observations | 996,059 | 1,323,896 | 656,502 | 646,108 | 914,648 | 582,365 |
| Unique reflections | 218,087 | 92,320 | 91,599 | 91,218 | 96,270 | 76,748 |
| Completeness (%) | 96.4 (95.0) | 96.9 (96.0) | 95.8 (94.0) | 95.4 (93.0) | 99.8 (100) | 99.8 (98.3) |
| Rsymm (I) | 0.062 (0.524) | 0.168 (0.701) | 0.164 (697) | 0.170 (0.652) | 0.204 (0.716) | 0.119 (0.639) |
| l/σ (I) | 19.8 (2.3) | 15.0 (2.4) | 10.4 (2.7) | 8.4 (2.2) | 12.4 (1.6) | 16.6 (2.5) |
| Number of sites | 56 | 8 | 16 | |||
| Phasing power (ano) | 1.043 | 0.46 | 0.61 | 1.01 | 0.98 | |
| Phasing power (iso) | 0.50 | 0.38 | 2.83 | 1.35 | ||
| Figure of merit | 0.385 (acentric), 0.345 (centric) | |||||
| NCS correlation | 0.44 (initial) 0.81 (final) | |||||
a Ethylmercurithiosalicylate (EMTS).
b Di-μ-iodobis(ethylenediamine)diplatinum (PIP).