Table I.
X-Ray Data Collection and Refinement Statistics
| P-Etx-H149A | |
|---|---|
| Data collection | |
| Space group | P3 |
| Cell dimensions | |
| a, b, c (Å) | 123.70, 123.70, 127.31 |
| α,β,γ (°) | 90, 90, 120 |
| Resolution (Å) | 21.56-2.40 (2.49-2.40)a |
| Rmerge | 0.061 (0.435) |
| I/σI | 12.3 (1.2) |
| Completeness (%) | 100.0 (99.9) |
| Redundancy | 3.70 (2.25) |
| Refinement | |
| Resolution (Å) | 21.56-2.4 |
| No. reflections | 85,072 |
| Rwork/Rfree (%) | 24.6-27.5 |
| No. atoms | |
| Protein | 8448 |
| Ligand/ion | 100 |
| Water | 459 |
| B-factors (Å2) | |
| Protein | 54.5 |
| Ligand | 48.2 |
| Water | 47.0 |
| RMS deviations | |
| Bond lengths (Å) | 0.01 |
| Bond angles (°) | 1.33 |
a
Values in parentheses are for highest-resolution shell.