Table S2.
Data collection and processing
| HuLf + Fe(II) 60′ | HoLf + Fe(II) 60′ | |||
| Structure | High energy remote | Above iron K-edge | Below iron K-edge | Above iron K-edge |
| PDB ID codes | 5LG8 | 5LG8 | 5LG8 | 5LG2 |
| Diffraction source | I03 (DLS) | XRD-1 (Elettra) | XRD-1 (Elettra) | XRD-1 (Elettra) |
| Wavelength, Å | 0.9184 | 1.7220 | 1.7587 | 1.7220 |
| Temperature, K | 100 | 100 | 100 | 100 |
| Detector | Pilatus 6M-F | Pilatus 2M | Pilatus 2M | Pilatus 2M |
| Crystal-detector distance, mm | 342 | 100 | 100 | 90 |
| Rotation range per image, ° | 0.15 | 0.5 | 0.5 | 0.5 |
| Total rotation range, ° | 75 | 60 | 60 | 60 |
| Exposure time per image, s | 0.25 | 10 | 10 | 15 |
| Space group | I432 | I432 | I432 | F432 |
| a, b, c, Å | 151.42 | 151.47 | 151.64 | 181.35 |
| Mosaicity, ° | 0.73 | 0.68 | 0.68 | 0.54 |
| Resolution range, Å | 29.70–1.98 (2.09–1.98) | 25.98–2.25 (2.37–2.25) | 26.00–2.28 (2.40–2.28) | 23.61–2.22 (2.34–2.22) |
| Total no. of reflections | 241,127 (34,962) | 128,079 (19,118) | 149,132 (22,337) | 138,083 (20,118) |
| No. of unique reflections | 20,846 (2,990) | 14,378 (2,052) | 13,874 (1,978) | 13,146 (1,862) |
| Completeness, % | 99.7 (100.0) | 99.9 (100.0) | 99.8 (100.0) | 99.9 (100.0) |
| Anomalous completeness, % | 99.7 (100.0) | 99.8 (100.0) | 99.9 (100.0) | 99.9 (100.0) |
| Redundancy | 11.6 (11.7) | 8.9 (9.3) | 10.7 (11.3) | 10.5 (10.8) |
| Anomalous redundancy | 5.9 (5.8) | 4.6 (4.8) | 5.7 (5.8) | 5.6 (5.6) |
| 〈I/σ(I)〉 | 16.8 (4.9) | 12.6 (4.1) | 14.0 (4.9) | 12.6 (4.9) |
| Rr.i.m. | 0.096 (0.481) | 0.113 (0.456) | 0.113 (0.449) | 0.126 (0.401) |
| Overall B factor from Wilson plot, Å2 | 15.4 | 15.9 | 16.6 | 14.2 |
Values for the outer resolution shell are given in parentheses. Rr.i.m., redundancy-independent merging R factor.