Table 1.
Crystallography Statistics
| SeMet Bro1VSEM:UbA28M | SeMet AlixV:Ub | |
|---|---|---|
| DATA COLLECTION | ||
| Space group | P212121 | I23 |
| Unit cell parameters (Å) | a=63.43, b=92.32, c=229.45 | a=b=c=223.77 |
| Resolution (Å) | 34.49–3.50 (3.62–3.50) | 39.56–6.50 (6.73–6.50) |
| Rmerge | 8.4 (61.1) | 6.1 (74.8) |
| Unique Reflections | 17664 (1700) | 3774 (370) |
| <I/σ(I)> | 6.6 (1.7) | 23.3 (2.1) |
| Completeness (%) | 100.0 (99.9) | 100.0 (100.0) |
| Multiplicity | 7.1 (7.3) | 21.4 (22.3) |
| Anomalous <I/σ(I)> | 5.3 (1.0) | 18.6 (1.2) |
| Anomalous completeness (%) | 99.9 (99.9) | 100.0 (100.0) |
| Anomalous multiplicity | 3.85 (3.83) | 11.4 (11.6) |
| REFINEMENT | ||
| Resolution (Å) | 34.49–3.60 | 39.56–6.50 |
| No. reflections | 16053 | 3760 |
| Rwork/Rfree | 36.6/42.1 | 20.3/28.3 |
| No. protein atoms | 3536 | 5398 |
| B FACTORS | ||
| Wilson (Å2) | 131.3 | 468.9 |
| Average (Å2) | 158.2 | 150.3 |
| RMS DEVIATIONS | ||
| Bond lengths (Å) | 0.002 | 0.002 |
| Bond angles (°) | 0.665 | 0.550 |
| MOLPROBITY STATISTICS | ||
| Ramachandran favored (%) | 91.2 | 90.6 |
| Allowed (%) | 7.4 | 8.2 |
| Outliers (%) | 1.31 | 1.2 |
| All-atom clashscore | 4.27 | 4.79 |
| Overall score | 1.72 | 2.01 |
| Solvent content (%) | 68.5 | 78.5 |
| Molecules of V domain/asymmetric unit | 2 | 2 |
Crystallography statistics for an open conformation of the human Alix V domain (PDB ID: 4JJY) and a crystal structure of the yeast Bro1 V domain in a complex with ubiquitin (PDB ID: 4JIO)