TABLE 3.
Data collection and refinement statistics for LppA
| Space group | P 1 21 1 |
| Cell dimensions a, b, c (Å), β (degrees) | 98.65 55.49 131.42 99.61 |
| Resolution (Å) | 50–1.4 (1.5–1.4)a |
| Rmeas (%) | 5.4 (82.8) |
| I/σI | 15.9 (2.3) |
| CC(1/2) (%) | 99.9 (81.7) |
| Completeness (%) | 96.0 (90.5) |
| Redundancy | 4.5 (4.6) |
| Refinement | |
| Resolution (Å) | 50.0–1.4 |
| No. of reflections (test reflections) | 264665 (1060) |
| Rwork, Rfree (%) | 14.4, 16.9 |
| No. of atoms | 12052 |
| Protein | 10529 |
| Ligand/ion | 59 |
| Water | 1464 |
| B-factors (A2) | |
| Protein | 23.8 |
| Ligand/ion | 19.5 |
| Water | 35.6 |
| Root mean square deviations | |
| Bond lengths (Å) | 0.007 |
| Bond angles (degrees) | 1.13 |
| Ramachandran plot (Molprobity) | |
| Allowed (%) | 1.9 |
| Favored (%) | 98.1 |
a Outermost resolution shell.