Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96183 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.415, 71.603, 68.560 |
| Unit cell angles | 90.00, 93.10, 90.00 |
Refinement procedure
| Resolution | 35.800 - 1.680 |
| R-factor | 0.1847 |
| Rwork | 0.182 |
| R-free | 0.22830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.009 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
| High resolution limit [Å] | 1.680 | 3.620 | 1.680 |
| Rmerge | 0.108 | 0.062 | 0.652 |
| Rmeas | 0.117 | 0.067 | 0.716 |
| Rpim | 0.045 | 0.026 | 0.292 |
| Total number of observations | 455503 | ||
| Number of reflections | 68847 | 7031 | 6854 |
| <I/σ(I)> | 4 | ||
| Completeness [%] | 100.0 | 100 | 99.9 |
| Redundancy | 6.6 | 6.5 | 5.9 |
| CC(1/2) | 0.983 | 0.996 | 0.784 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 0.1 M BIS-TRIS pH 6.5, 20% w/v PEG 5,000 |
