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 | 2022-06-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.965, 164.791, 143.965 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 45.010 - 1.580 |
| R-factor | 0.1999 |
| Rwork | 0.200 |
| R-free | 0.21420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.092 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21_5184: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.010 | 2.730 | 1.636 |
| High resolution limit [Å] | 1.580 | 2.700 | 1.580 |
| Rmerge | 0.106 | 0.922 | 1.191 |
| Rmeas | 0.132 | 1.082 | 1.506 |
| Rpim | 0.077 | 0.562 | 0.908 |
| Number of reflections | 583936 | 10377 | 53686 |
| <I/σ(I)> | 4.66 | 0.89 | 0.56 |
| Completeness [%] | 92.9 | 94.07 | 85.24 |
| Redundancy | 2.3 | 3.6 | 2.1 |
| CC(1/2) | 0.991 | 0.588 | 0.256 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295.15 | 0.5 M (NH4)2SO4, 0.1 M Na3 Citrate pH 5.6, 1 M Li2SO4 |
| 2 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295.15 | 0.5 M (NH4)2SO4, 0.1 M Na3 Citrate pH 5.6, 1 M Li2SO4 |
| 3 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295.15 | 0.5 M (NH4)2SO4, 0.1 M Na3 Citrate pH 5.6, 1 M Li2SO4 |
