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 | 2021-04-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.150, 79.000, 117.590 |
| Unit cell angles | 77.67, 87.71, 84.29 |
Refinement procedure
| Resolution | 41.960 - 2.500 |
| R-factor | 0.2567 |
| Rwork | 0.255 |
| R-free | 0.30040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.665 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21rc1_5127) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmeas | 0.205 | 2.914 |
| Number of reflections | 41229 | 3026 |
| <I/σ(I)> | 5.5 | 0.6 |
| Completeness [%] | 91.7 | 91.3 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.992 | 0.335 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 277 | 0.1 M MIB pH 4.0, 25% PEG3350 |
