Table 2. Structure solution and refinement.
| LMO4 | Thermolysin | Lysozyme | |
|---|---|---|---|
| Wavelength (Å) | 1.2853 | 3.0685 | 4.1328 |
| Resolution range (Å) | 53.53–1.80 | 80.67–2.10 | 55.88–2.70 |
| Completeness (%) | 99.7 | 100 | 76.3 |
| No. of reflections | |||
| Working set | 18231 | 18906 | 2660 |
| Test set | 967 | 1048 | 138 |
| Final Rcryst/Rfree | 0.1980/0.2330 | 0.1810/0.2190 | 0.1876/0.2171 |
| No. of non-H atoms | 1414 | 2615 | 1026 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.008 | 0.003 | 0.007 |
| Angles (°) | 1.66 | 1.17 | 1.76 |
| Average B factor (Å2) | 32.6 | 25.2 | 19.4 |
| Ramachandran statistics (%) | |||
| Most favoured | 100 | 95.5 | 96.9 |
| Allowed | 0 | 4.5 | 3.1 |
| Clashscore | 2.8 | 1.3 | 2.5 |
| MolProbity score | 1.18 | 1.16 | 1.44 |
| PDB code | 9f5b | 9f56 | 9gcv |