Table 2. Data-collection and refinement statistics for HEWL.
Values in parentheses are for the outer resolution shell.
| Cryoprotectant | 2.8M proline | 22.5% ethylene glycol |
|---|---|---|
| Space group | P43212 | P43212 |
| Unit-cell parameters () | a = b = 78.0, c = 37.7 | a = b = 78.9, c = 36.9 |
| Wavelength () | 1.54 | 1.54 |
| Resolution () | 19.501.50 (1.581.50) | 19.501.50 (1.581.50) |
| No. of observations | 205088 | 228617 |
| Unique reflections | 19076 | 19082 |
| R merge(I) | 0.028 (0.241) | 0.028 (0.148) |
| R meas(I) | 0.029 (0.257) | 0.029 (0.157) |
| R p.i.m.(I) | 0.008 (0.085) | 0.008 (0.051) |
| Mean I/(I) | 46.1 (7.6) | 58.6 (12.9) |
| Completeness (%) | 99.6 (97.6) | 99.9 (99.5) |
| Multiplicity | 10.8 (8.2) | 12.0 (8.8) |
| Mosaicity () | 0.21 | 0.13 |
| No. of protein atoms | 976 | |
| No. of water molecules | 99 | |
| No. of proline molecules | 1 | |
| R cryst | 0.185 | |
| R free † | 0.216 | |
| R.m.s. deviations‡ | ||
| Bond lengths () | 0.005 | |
| Bond angles () | 1.012 | |
| Ramachandran plot§, residues in | ||
| Favored regions | 126 | |
| Allowed regions | 1 | |
| Outliers | 0 | |
| Average B factor (2) | ||
| Protein | 16 | |
| Water | 25 | |
| Proline | 22 | |
| PDB code | 4e3u | |