Table 1.
Crystallographic Data and Refinement Statistics
| SpUba1-Ubc15/Ub | |
| PDB ID | 5KNL |
| Source | APS 22 ID |
| Wavelength (Å) | 1.00 |
| Resolution Limits (Å) | 29.7–2.50 (2.55–2.5) |
| Space Group | P1 |
| Unit Cell (Å) a, b, c | 77.1, 82.2, 135.4 |
| Unit Cell (°) α, β, γ | 102.1, 95.8, 90.9 |
| Number of observations | 378659 |
| Number of reflections | 108289 (5430) |
| Completeness (%) | 96.9 (93.2) |
| Mean I/σI | 10.2 (3.1) |
| R-merge on I a | 0.051 (0.29) |
| Refinement Statistics | |
| Resolution Limits (Å) | 28.3–2.50 (2.53–2.50) |
| # of reflections (work/free) | 97456/10828 |
| Completeness (%) | 96.9 (93.0) |
| Protein/ligand/water atoms | 19284/45/94 |
| Rcryst b | 0.216 (0.355) |
| Rfree (10% of data) | 0.251 (0.378) |
| Bonds (Å)/ Angles (°) | 0.003/0.699 |
| B-factors: protein/ligand/water (Å2) |
52.1/67.7/24.2 |
| Ramachandran plot statistics (%) |
|
| favored | 94.8 |
| allowed | 4.9 |
| outliers | 0.3 |
| MolProbity score | 1.11–100th percentile (N=6960, 2.50 Å ± 0.25Å) |
Parentheses indicate statistics for the high-resolution data bin for x-ray data.