Table 2. Refinement and model statistics.
| Resolution () | 2.0 |
| Final R factor† (%) | |
| Working set | 21.0 |
| Working set + test set | 21.12 |
| R free ‡ (%) | 24.65 |
| R.m.s.d. bond lengths () | 0.01 |
| R.m.s.d. bond angles () | 1.22 |
| Mean B value (2) | |
| Main-chain atoms | 25.5 |
| Side-chain atoms | 28.7 |
| Solvent content (%) | 51.87 |
| No. of protein residues | 168 |
| No. of glycerol molecules | 6 |
| No. of water molecules | 135 |
| Ramachandran plot (% of residues in) | |
| Most favoured regions | 98.2 |
| Additionally allowed regions | 1.8 |
| Disallowed regions | 0 |
R =
, where F
obs and F
calc are the observed and calculated structure factors, respectively.
R free was determined using 5% of the data (Brnger, 1992 ▶).