Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-20 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.987 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 119.538, 179.135, 234.797 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.620 - 2.850 |
| R-factor | 0.2127 |
| Rwork | 0.212 |
| R-free | 0.24340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.251 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.100 | 2.950 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.179 | 2.086 |
| Rmeas | 0.195 | 2.256 |
| Rpim | 0.076 | 0.854 |
| Total number of observations | 383789 | 39468 |
| Number of reflections | 59028 | 5734 |
| <I/σ(I)> | 12.1 | 1.1 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.5 | 6.9 |
| CC(1/2) | 0.996 | 0.487 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | 1.2 Na/K Tartrate, 100 mM ADA pH 6.5 |
