Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| 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) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.350, 103.960, 161.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.989 - 2.282 |
| Rwork | 0.227 |
| R-free | 0.28470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m3h |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.411 |
| 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] | 48.989 | 2.294 |
| High resolution limit [Å] | 2.282 | 2.282 |
| Number of reflections | 39762 | 11949 |
| <I/σ(I)> | 5.6 | |
| Completeness [%] | 98.8 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.988 | 0.484 |
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 |
