Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-02 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97932 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.792, 81.432, 65.622 |
| Unit cell angles | 90.00, 106.56, 90.00 |
Refinement procedure
| Resolution | 29.677 - 2.218 |
| Rwork | 0.181 |
| R-free | 0.23180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.741 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.677 | 2.270 |
| High resolution limit [Å] | 2.218 | 2.218 |
| Number of reflections | 30467 | 1292 |
| <I/σ(I)> | 9.6 | 1.3 |
| Completeness [%] | 96.6 | |
| Redundancy | 5.6 | |
| CC(1/2) | 0.997 | 0.763 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | 0.1 M Na-malonate buffer, pH 6.6 , 0.15 M DL-malic acid, 4% propanediol, and 20% PEG 3350 |
