Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.318, 69.323, 99.641 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.240 - 2.900 |
| R-factor | 0.2502 |
| Rwork | 0.244 |
| R-free | 0.31040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.828 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.240 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.200 | |
| Number of reflections | 8837 | 1395 |
| <I/σ(I)> | 3.7 | 1.4 |
| Completeness [%] | 99.3 | 99.7 |
| Redundancy | 3 | 2.9 |
| CC(1/2) | 0.948 | 0.359 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 27 mM NaNO3, 27 mM Na2HPO4, 27 mM ammonium sulfate, 0.1 M MES, 12% (v/v) PEG 500 MME & 6% (v/v) PEG 20000 |
