Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-15 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 174.860, 38.130, 190.970 |
| Unit cell angles | 90.00, 106.15, 90.00 |
Refinement procedure
| Resolution | 52.970 - 1.900 |
| Rwork | 0.217 |
| R-free | 0.26830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.511 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 52.970 | 52.920 | 1.930 |
| High resolution limit [Å] | 1.900 | 10.400 | 1.900 |
| Rmerge | 0.110 | 0.049 | 1.122 |
| Rmeas | 0.131 | 0.053 | 1.225 |
| Rpim | 0.063 | 0.029 | 0.483 |
| Number of reflections | 96690 | 674 | 4677 |
| <I/σ(I)> | 5.96 | 19.8 | 1.8 |
| Completeness [%] | 98.0 | 98.3 | 100 |
| Redundancy | 6.5 | 6 | 6.2 |
| CC(1/2) | 0.994 | 0.998 | 0.633 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 50 mM potassium phosphate pH 7.5 31 - 34 % PEG3350 Initial hollow crystals were used as seed stock for seeding experiments. |
