Table 1. Data collection and refinement statistics.
| Apo-LC8 | LC8–Swa | |
|---|---|---|
| Resolution | 100.0–1.70 (1.76–1.70) | 100.0–2.0 (2.11–2.00) |
| Reflections (total/unique) | 525,746/13,961 | 119,020/8784 |
| Completeness | 96.6 (87.0) | 100.0 (100.0) |
| Rmeas a | 6.6 (38.5) | 6.7 (41.7) |
| I/σ | 34.8 (7.5) | 6.3 (1.0) |
| Refinement | ||
| Resolution (Å) | 38.9–1.70 (1.74–1.70) | 35.8–2.0 (2.05–2.00) |
| No. of reflections | 13,151 (843) | 7844 (552) |
| No. of amino acids | ||
| LC8 | 87 | 87 |
| Ligand | – | 10 |
| No. of solvent atoms | 109 | 61 |
| Total no. of atoms | 879 | 869 |
| Average B (all heavy atoms, Å2) | ||
| LC8 | 26.3 | 42.1 |
| Peptide | – | 36.2 |
| Rcryst (%) | 17.9 (19.6) | 21.5 (26.3) |
| Rfree (%) | 21.1 (25.7) | 26.5 (34.7) |
| RMSD bonds (Å) | 0.011 | 0.007 |
| RMSD angles (°) | 1.3 | 0.88 |
| φ, ψ (most favored, %)b | 98.8 | 98.9 |
a
As defined by Diederichs and Karplus.22
b
As defined in Lovell et al. 23