Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9655 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 140.073, 100.530, 77.913 |
| Unit cell angles | 90.00, 121.86, 90.00 |
Refinement procedure
| Resolution | 66.180 - 1.520 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (3-FEB-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.180 | 1.710 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Number of reflections | 234030 | 9519 |
| <I/σ(I)> | 11.8 | 1.9 |
| Completeness [%] | 82.5 | |
| Redundancy | 3.2 | |
| CC(1/2) | 0.999 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M magnesium formate, 20% (w/v) PEG 3,350, 0.1 M manganese tetrachloride |
