Table 2.
Data collection and refinement statistics.
| Data collection | |
|---|---|
| Crystal | PaDHP-5AU |
| Wavelength (Å) | 1.0 |
| Resolution (Å) | 30–2.16 |
| Space group | P3121 |
| Cell dimension a, b, c (Å)/β (°) | 112.67, 112.67, 161.43/90 |
| Redundancy | 4.9 (4.9) |
| Completeness (%) | 99.9 (99.9) |
| <I/σI> | 23.7 (3.1) |
| CC1/2 | 0.965(0.866) |
|
| |
| Refinement | |
| Resolution (Å) | 29.01–2.16 |
| No. of reflections | 64183 |
| R work/Rfree | 0.185/0.229 |
|
| |
| No. of atoms | |
| Ligands | 1 |
| Protein | 954 |
| Zinc | 4 |
| Water | 459 |
|
| |
| r.m.s deviations | |
| Bond lengths (Å) | 0.008 |
| Bond angles (°) | 0.893 |
|
| |
| Ramachandran plot | |
| Favored (%) | 95.45 |
| Allowed (%) | 3.7 |
| Outliers (%) | 0.85 |
| PDB entry | 7E3U |
Values in parentheses are for the highest resolution shell. CC1/2 is the percentage of correlation between the intensities of random half-data sets.