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 X CdTe 16M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.922, 92.293, 131.637 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.480 - 1.694 |
| R-factor | 0.2184 |
| Rwork | 0.217 |
| R-free | 0.23880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.950 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.570 | 1.842 |
| High resolution limit [Å] | 1.694 | 1.694 |
| Rmeas | 0.155 | 1.610 |
| Number of reflections | 82644 | 4132 |
| <I/σ(I)> | 7.7 | 1.6 |
| Completeness [%] | 71.6 | |
| Redundancy | 10.6 | |
| CC(1/2) | 0.994 | 0.715 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10% w/v PEG 8000, 20% v/v ethylene glycol 0.02 M of each carboxylic acid 0.1 M MES/imidazole pH 6.5. Carboxylic acids 0sodium formate, ammonium acetate, trisodium citrate, sodium potassium l-tartrate, sodium oxamate |
