Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978564977646 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.394, 76.346, 95.565 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.549 - 1.800 |
| Rwork | 0.172 |
| R-free | 0.23120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.376 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.549 | 45.510 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.087 | 0.037 | 2.586 |
| Rmeas | 0.096 | 0.041 | 2.846 |
| Rpim | 0.040 | 0.017 | 1.178 |
| Number of reflections | 48459 | 452 | 2813 |
| <I/σ(I)> | 19.1 | ||
| Completeness [%] | 100.0 | ||
| Redundancy | 10.7 | 9.3 | 10.7 |
| CC(1/2) | 0.999 | 0.992 | 0.721 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 23% PEG-MME 2000, 0.1 M potassium acetate |
