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 | 2020-12-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.254, 34.866, 69.575 |
| Unit cell angles | 90.00, 108.63, 90.00 |
Refinement procedure
| Resolution | 28.780 - 1.370 |
| R-factor | 0.1797 |
| Rwork | 0.177 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.289 |
| 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] | 28.780 | 28.780 | 1.410 |
| High resolution limit [Å] | 1.370 | 6.130 | 1.370 |
| Rmerge | 0.031 | 0.016 | 0.610 |
| Rmeas | 0.036 | 0.019 | 0.729 |
| Rpim | 0.020 | 0.011 | 0.394 |
| Total number of observations | 116020 | ||
| Number of reflections | 34572 | 417 | 2485 |
| <I/σ(I)> | 19.4 | ||
| Completeness [%] | 99.4 | 97.8 | 96 |
| Redundancy | 3.4 | 3.2 | 3.3 |
| CC(1/2) | 1.000 | 1.000 | 0.828 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | 24% PEG 3350, 100 mM MgCl2, 10 mM CoCl2, 100 mM HEPES |
