Table 1. Crystallographic data.
| Statistics | LeoA SeMet | LeoA native |
| Protein | full-length, C-terminal GSHHHHHH | full-length, C-terminal GSHHHHHH |
| GenBank ID | AAF22637.1 | AAF22637.1 |
| ATCC ID | 35401 | 34501 |
| Data collection | ||
| Beamline | Diamond I02 | Diamond I02 |
| Wavelengths (Å) | 0.9795, 0.9797, 0.9778 | 0.9795 |
| Crystal | ||
| Space group | C2 | C2 |
| Cell (Å) | 185.1, 53.6, 73.9, 96.6° | 185.5, 53.6, 73.9, 96.6° |
| Scaling | ||
| Resolution (Å) | 3.0 | 2.7 |
| Completeness (%)1 | 96.6 (96.2) | 97.8 (93.8) |
| Multiplicity1 | 7.2 (7.4) | 3.3 (3.1) |
| ano completeness (%)1 | 99.1 (99.0) | |
| ano multiplicity1 | 3.7 (3.8) | |
| ano correlation1 , 2 | 0.594 (0.071) | |
| (I)/σ(I)1 | 18.5 (5.8) | 8.2 (2.2) |
| Rmerge 1 | 0.083 (0.317) | 0.092 (0.416) |
| Rpim 1 | 0.050 (0.187) | 0.087 (0.381) |
| Phasing | ||
| Scatterer/mode | Se/MAD | |
| Number of sites | 17 | |
| Figure of merit | 0.51 | |
| Refinement | ||
| R/Rfree 3 | 0.216/0.289 | |
| Model | 1–113, 121–571, 1 SO4, 50 H2O | |
| Bond length rmsd (Å) | 0.012 | |
| Bond angle rmsd (°) | 1.47 | |
| Most favoured (%)4 | 93.0 | |
| Disallowed (%)4 | 0.6 | |
| MOLPROBITY score | 97th percentile | |
| PDB ID | 4AUR |
SeMet data values for peak wavelength, only.
1
Values in parentheses refer to the highest recorded resolution shell.
2
Anomalous correlation coefficient between half sets (SCALA) [19].
3
5% of reflections were randomly selected before refinement.
4
Percentage of residues in the Ramachandran plot (PROCHECK) [19].