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 | 2024-01-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.885603 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 86.773, 40.612, 55.954 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.140 - 1.182 |
| R-factor | 0.2084 |
| Rwork | 0.207 |
| R-free | 0.23150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.140 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC ((Version 1.1.7)) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (23-JAN-2024)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.000 | 1.307 |
| High resolution limit [Å] | 1.182 | 1.182 |
| Number of reflections | 46888 | 2344 |
| <I/σ(I)> | 6.7 | |
| Completeness [%] | 93.4 | |
| Redundancy | 12.6 | |
| CC(1/2) | 1.000 | 0.600 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2mM Magnesium Chloride, 20% PEG 2000, 100mM sodium acetate pH 4.4 |
