Table 3. Data collection and refinement statistics for B. stearothermophilus apo-TRAP.
(a) Data collection
| Parameter | ||
|---|---|---|
| Space group | P21 | |
| Unit cell | a=68.1 Å, b=85.4 Å, c=127.4 Å | |
| Resolution (Å) | 50.0–3.1 | |
| Number of reflections | 84881 | |
| Number of unique reflections | 24780 | |
| Redundancy | 3.4 (2.5)* | |
| Rmerge (%) | 8.2 (24.1)* | |
| Completeness (%) | 94.5 (77.5)* | |
| I/σ (I) | 10.3 (1.4)* | |
| (b) Refinement | ||
| Parameter | ||
| Resolution range (Å) | 20.0–3.2 | |
| R-factor (%) | 24.0 | |
| Free R-factor (%) | 26.7 | |
| Average B-factor | 68.0 | |
| Rmsd bond lengths | 0.012 | |
| Rmsd bond angles | 1.321 | |
| Ramachandran plot | ||
| Most favoured region (%) | 91.4 | |
| Additionally allowed region (%) | 8.1 | |
*Figures in brackets refer to the outer shell of data, between resolution limits 3.19–3.11 Å.