Table 3.
Data collection and refinement statistics.
| Mhp-Lpl native | Mhp-Lpl SAD | |
|---|---|---|
| Data collection | ||
| Space group | P41212 | P41212 |
| Cell dimensions | ||
| a, b, c (Å) | 100.32, 100.32, 155.58 | 102.44, 102.44, 161.47 |
| α, β, γ (°) | 90.00, 90.00, 90.00 | 90.00, 90.00, 90.00 |
| Resolution (Å) | 50~2.45 (2.54~2.45)* | 50~2.30 (2.38~2.30) |
| Rmerge | 0.060 (0.758) | 0.104 (0.729) |
| I /σI | 40.4 (3.5) | 29.1 (5.5) |
| Completeness (%) | 99.6 (99.1) | 97.8 (95.2) |
| Redundancy | 14.9 (14.9) | 18.2 (18.7) |
| Refinement | ||
| Resolution (Å) | 50~2.45 | 50~2.30 |
| No. reflections | 29572 (2730) | 36085 |
| Rwork / Rfree | 0.2007/0.2683 | 0.1959/0.2631 |
| No. atoms | 5736 | |
| Protein | 5431 | |
| LAQ | 68 | |
| Water | 237 | |
| Ramachandran favored (%) | 95.87 | |
| allowed (%) | 3.98 | |
| outliers (%) | 0.15 | |
| B-factors | 67.10 | |
| Protein | 67.41 | |
| LAQ | 73.75 | |
| Water | 59.93 | |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.010 | |
| Bond angles (°) | 1.75 | |
*
Values in parentheses are for highest-resolution shell.