Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-21 |
| Detector | DECTRIS EIGER2 XE CdTe 16M |
| Wavelength(s) | 0.886 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.448, 56.887, 61.153 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.708 - 1.097 |
| Rwork | 0.136 |
| R-free | 0.15350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.862 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.708 | 1.120 |
| High resolution limit [Å] | 1.097 | 1.100 |
| Rmeas | 0.129 | 0.847 |
| Number of reflections | 51801 | 2590 |
| <I/σ(I)> | 8.6 | 2.8 |
| Completeness [%] | 98.0 | 79 |
| Redundancy | 8.8 | |
| CC(1/2) | 0.990 | 0.828 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.4M Sodium malonate pH 7.0 |
