Table 2.
AuaEII Crystallographic Data Collection and Refinement Statistics
| AuaEIIa | |
|---|---|
| beamline | SSRL Beamline 12–2 |
| PDB ID | 4WV3 |
| crystallization | 0.1 M sodium acetate pH 4.5, 0.1 M magnesium acetate, 8% PEG 8000 |
| crystallographic data | |
| wavelength (Å) | 0.9537 |
| space group | P212121 |
| cell dimensions (a, b, c) (Å) | 50.054, 132.219, 160.118 |
| α=β=γ=90° | |
| resolution (Å) | 50.00–2.60 |
| no. of observations | 215077 |
| no. of unique observations | 33543 |
| completeness % | 99.7 (97.4) |
| I/σ(I) | 15.1 (5.1) |
| Rmerge % | 11.2 (32.2) |
| redundancy | 6.4 |
| refinement | |
| resolution (Å) | 46.81–2.60 (2.69–2.60) |
| no. of protein atoms | 8062 |
| no. of ligand atoms | 64 |
| no. of water atoms | 488 |
| Rfree % | 0.224 (0.267) |
| Rcrys % | 0.174 (0.203) |
| geometry | |
| RMS bonds (Å) | 0.017 |
| RMS angles (deg) | 0.99 |
| Ramachandran favored (%) | 98 |
| Ramachandran allowed (%) | 1.8 |
| Ramachandran disallowed (%) | 0.2 |
| average B-factors (Å2) | |
| protein | 21.90 |
| water | 22.30 |
| ligands | 15.00 |
a
Numbers in parentheses denote the highest resolution shell.