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 | 2024-01-30 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92010 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.565, 88.292, 89.265 |
| Unit cell angles | 90.00, 104.32, 90.00 |
Refinement procedure
| Resolution | 39.320 - 1.700 |
| R-factor | 0.206 |
| Rwork | 0.204 |
| R-free | 0.23970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.823 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.087 | 0.054 | 0.377 |
| Rmeas | 0.102 | 0.063 | 0.445 |
| Rpim | 0.052 | 0.031 | 0.234 |
| Total number of observations | 267252 | ||
| Number of reflections | 73315 | 7468 | 7260 |
| <I/σ(I)> | 8.6 | ||
| Completeness [%] | 99.7 | 99.7 | 99 |
| Redundancy | 3.6 | 3.9 | 3.4 |
| CC(1/2) | 0.988 | 0.993 | 0.815 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 13-18% PEG3350, 0.2M NaSCN, 0.1 M Bis-Tris Propane, pH = 7.5 |
