Table 2. Structure-refinement and validation statistics.
| Bovine chymosin | Camel chymosin | |
|---|---|---|
| Resolution range () | 26.61.80 | 24.81.60 |
| R free † | 0.215 | 0.208 |
| R work ‡ | 0.177 | 0.186 |
| Reflections (total) | 30027 | 62748 |
| Reflections (R free test set) | 1520 | 3182 |
| Solvent content (%) | 46 | 58 |
| Molecules in the asymmetric unit | 1 | 1 |
| No. of atoms | 2890 | 2968 |
| No. of amino-acid residues | 323 | 312 |
| No. of carbohydrates | 0 | 1 |
| No. of anions | 8 | 10 |
| No. of solvent molecules | 370 | 442 |
| Average B factor (2) | ||
| Overall | 23.4 | 24.4 |
| Amino acids | 22.2 | 21.6 |
| Anions | 26.1 | 52.0 |
| Carbohydrates | 48.1 | |
| Ligand | 41.4 | |
| Water molecules | 31.7 | 35.8 |
| R.m.s.d. from ideal | ||
| Bond lengths () | 0.008 | 0.007 |
| Bond angles () | 1.032 | 1.061 |
| Ramachandran outliers | Leu12, Ser94, Gln162, Gln189, Gln280 | Tyr134, Gln162, Ser164, Gln189 |
†
R
work = 
, where F
calc is the structure factor calculated from the model and F
obs is the structure factor of the observed reflections used for model building.
‡
R
free =
, where F
calc is the structure factor calculated from the model and F
obs is the structure factor of the observed reflections retained from model building (the R
free test set).