Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.439, 67.638, 63.178 |
| Unit cell angles | 90.00, 102.74, 90.00 |
Refinement procedure
| Resolution | 45.550 - 2.100 |
| R-factor | 0.1816 |
| Rwork | 0.179 |
| R-free | 0.22910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.520 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.550 | 2.175 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.041 | 0.457 |
| Rmeas | 0.058 | 0.646 |
| Rpim | 0.041 | 0.457 |
| Number of reflections | 18016 | 1760 |
| <I/σ(I)> | 10.54 | 1.54 |
| Completeness [%] | 99.7 | 99.49 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.998 | 0.812 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293 | 17.455% PEG MME 2000 0.2 M Calciumacetate 0.1 M BIS-Tris pH 6.3 |
