TABLE 1.
Data collection and refinement statistics
| 4KPG | 4J94 | |
|---|---|---|
| Crystal parameters | ||
| Phasing method | SeMet SAD (peak) | MR |
| Space group | I 2 2 2 | P 21 21 21 |
| Cell dimensions | ||
| a, b, c (Å) | 81.00, 94.08, 119.60 | 56.49, 77.29, 84.93 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Data collection | ||
| Resolution (Å) | 47.04-2.15 | 37.22-1.86 |
| Completeness (%) | 99.7 (99.0)a | 86.3 (73.03) |
| Redundancy | 4.8 (4.5) | 2.0 (2.0) |
| Wavelength | 0.97895 | 0.97895 |
| f′/f″ | 8.25/5.13 | |
| Rmerge | 0.036 (0.553) | 0.067 (0.179) |
| I/σI | 10.4 (2.7) | 7.50 (3.95) |
| Refinement | ||
| Resolution (Å) | 47.04-2.15 | 37.22-1.86 |
| Rwork/Rfreeb | 0.1690/0.2043 | 0.1553/0.1913 |
| No. reflections | 25,225 | 27,671 (2,296) |
| No. atoms | ||
| Protein | 2,945 | 2,738 |
| Ligand/ion | 0 | 0 |
| Water | 184 | 421 |
| B-factors (Å2) | ||
| Protein | 36.9 | 15.2 |
| Water | 41.9 | 31.8 |
| Root mean square deviations | ||
| Bond lengths (Å) | 0.007 | 0.006 |
| Bond angles (°) | 1.103 | 1.11 |
| Ramachandran values | ||
| Favored (%) | 97.4 | 98 |
| Allowed (%) | 100 | 100 |
a Values in parentheses are for the highest resolution shell.
b Fraction of reflections in test set = 0.1.