Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.380, 104.320, 162.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.079 - 1.785 |
| Rwork | 0.186 |
| R-free | 0.22760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m3h |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.559 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.785 | 1.785 |
| Number of reflections | 159870 | 25652 |
| <I/σ(I)> | 7.64 | |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 1.9 | |
| CC(1/2) | 0.996 | 0.521 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50 mM HEPES, pH 7.0, 1.4 M ammonium sulfate, 10 mM [Co(NH3)6]Cl3 |
