Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.541, 34.241, 69.776 |
| Unit cell angles | 90.00, 109.77, 90.00 |
Refinement procedure
| Resolution | 29.460 - 1.300 |
| R-factor | 0.1839 |
| Rwork | 0.182 |
| R-free | 0.22350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.022 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.460 | 29.460 | 1.330 |
| High resolution limit [Å] | 1.290 | 5.790 | 1.290 |
| Rmerge | 0.057 | 0.035 | 0.517 |
| Rmeas | 0.068 | 0.042 | 0.636 |
| Rpim | 0.037 | 0.022 | 0.364 |
| Total number of observations | 126902 | ||
| Number of reflections | 38563 | 464 | 2387 |
| <I/σ(I)> | 8.1 | ||
| Completeness [%] | 96.8 | 95.6 | 81.1 |
| Redundancy | 3.3 | 3.3 | 2.7 |
| CC(1/2) | 0.997 | 0.996 | 0.944 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | 24% PEG 3350, 150 mM MgCl2, 10 mM CoCl2, 100 mM HEPES |
