Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 173 |
| Detector technology | PIXEL |
| Collection date | 2024-11-08 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.89842 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 143.180, 143.180, 143.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.620 - 2.423 |
| Rwork | 0.189 |
| R-free | 0.24610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.722 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.82)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.620 | 50.620 | 2.490 |
| High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
| Rmerge | 0.169 | 0.040 | 5.998 |
| Rmeas | 0.173 | 0.041 | 6.140 |
| Rpim | 0.037 | 0.009 | 1.310 |
| Number of reflections | 19240 | 409 | 1999 |
| <I/σ(I)> | 16.7 | 71.3 | 0.8 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 41.3 | 39.5 | 42.8 |
| CC(1/2) | 1.000 | 1.000 | 0.564 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.15M Sodium Citrate, 0.1M TRIS pH8.5, 25% PEG400 |
