Table 1.
Data collection and refinement statistics (molecular replacement)
| CtUba4 PDB ID 6YUB | CtUba4‐CtUrm1 PDB ID 6YUC | |
|---|---|---|
| Data collection | P11 DESY | XRD2 Elettra |
| Wavelength (Å) | 1.0332 | 1.0 |
| Space group | P121 (4) | R32 (155) |
| Cell dimensions a, b, c (Å) | 64.48 73.96 103.36 | 197.74 197.74 99.57 |
| α, β, γ (°) | 90.0 106.1 90.0 | 90.0 90.0 120.0 |
| Resolution (Å) | 50–2.195 (2.274–2.195)a | 49.43–3.15 (3.34–3.15) |
| R meas (%) | 14.12 (135.6) | 6.6 (472.2) |
| R pim (%) | 5.4 (53.54) | 2.1 (191.4) |
| I/σI | 10.33 (1.31) | 18.85 (0.48) |
| CC1/2 | 0.997 (0.689) | 1 (0.297) |
| Completeness (%) | 99.44 (95.59) | 99.8 (99.2) |
| Redundancy | 6.6 (6.2) | 9.86 (9.43) |
| Refinement | ||
| Resolution (Å) | 47.623–2.195 | 42.867–3.153 |
| No. reflections | 48,062 | 9,580 |
| R work/R free | 0.2103/0.2526 | 0.2103/0.2631 |
| No. atoms | 6,097 | 2,878 |
| Protein | 6,097 | 2,877 |
| Ligand/ion | 2 | 1 |
| Water | 224 | 0 |
| B‐factors (Å2) | 53.98 | 156.74 |
| Protein | 54.04 | 156.76 |
| Ligand/ion | 41.72 | 110.05 |
| Water | 52.45 | N.A. |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.006 | 0.006 |
| Bond angles (°) | 1.03 | 1.52 |
a
Values in parentheses are for highest‐resolution shell.