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 | 2023-11-27 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.950, 80.710, 104.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.450 - 1.470 |
| R-factor | 0.1537 |
| Rwork | 0.152 |
| R-free | 0.19460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.977 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.890 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rpim | 0.039 | 1.624 |
| Number of reflections | 146232 | 4162 |
| <I/σ(I)> | 5.8 | 0.1 |
| Completeness [%] | 92.5 | |
| Redundancy | 12.3 | |
| CC(1/2) | 0.995 | 0.269 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 292.15 | 0.02 M citric acid, 0.08 M Bis-Tris propane, 10 % PEG 3350 |
