Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.727, 80.824, 65.857 |
| Unit cell angles | 90.00, 107.27, 90.00 |
Refinement procedure
| Resolution | 49.633 - 1.840 |
| Rwork | 0.197 |
| R-free | 0.26870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.540 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.900 | 1.870 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.055 | 1.687 |
| Rmeas | 0.063 | 1.907 |
| Rpim | 0.029 | 0.875 |
| Number of reflections | 54294 | 2664 |
| <I/σ(I)> | 10.1 | 0.7 |
| Completeness [%] | 99.4 | 99.7 |
| Redundancy | 4.4 | 4.6 |
| CC(1/2) | 0.998 | 0.578 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2 M Na-malonate, pH 7.0, 0.15 M DL-malic acid, 4% propane-diol, and 16% PEG 3350 |
