Table S3.
Structure solution and refinement
| Structure | HuLf + Fe(II) 60’ | HoLf + Fe(II) 60’ |
| PDB ID codes | 5LG8 | 5LG2 |
| Resolution range, Å | 29.70–1.98 (2.03–1.98) | 23.61–2.22 (2.28–2.22) |
| Completeness, % | 99.6 (100.0) | 99.8 (100.0) |
| No. of reflections, working set | 19,824 (1,437) | 12,489 (905) |
| No. of reflections, test set | 1,021 (67) | 656 (49) |
| Final Rcryst | 14.2 (21.0) | 16.5 (19.0) |
| Final Rfree | 17.7 (23.8) | 22.4 (28.0) |
| Cruickshank DPI | 0.103 | 0.185 |
| No. of non-H atoms | ||
| Protein | 1,437 | 1,364 |
| Metal Ions (Fe, Cd) | 12 (4, 8) | 7 (4, 3) |
| Ions (oxide, peroxide, acetate, chloride, sulfate) | 16 (1, 6, 4, 0, 5) | 6 (1, 4, 0, 1, 0) |
| Other | 0 | 6 |
| Water | 208 | 154 |
| Total | 1,674 | 1,537 |
| rms deviations | ||
| Bonds, Å | 0.026 | 0.015 |
| Angles, ° | 2.214 | 1.625 |
| Average B factors, Å2 | 25.88 | 28.35 |
| Ramachandran plot | ||
| Most favored, % | 98.0 | 98.0 |
| Allowed, % | 2.0 | 2.0 |
Values for the outer resolution shell are given in parentheses.