Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.467, 34.281, 69.591 |
| Unit cell angles | 90.00, 109.29, 90.00 |
Refinement procedure
| Resolution | 29.500 - 1.350 |
| R-factor | 0.1838 |
| Rwork | 0.182 |
| R-free | 0.21690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.703 |
| 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] | 29.500 | 29.500 | 1.390 |
| High resolution limit [Å] | 1.350 | 6.040 | 1.350 |
| Rmerge | 0.047 | 0.043 | 0.469 |
| Rmeas | 0.057 | 0.053 | 0.587 |
| Rpim | 0.031 | 0.030 | 0.349 |
| Total number of observations | 103732 | ||
| Number of reflections | 34806 | 410 | 2091 |
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 97.6 | 94.1 | 78.6 |
| Redundancy | 3 | 2.9 | 2.4 |
| CC(1/2) | 0.997 | 0.993 | 0.891 |
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 |
