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 | 2025-06-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 46.630, 46.630, 94.240 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.900 - 2.190 |
| R-factor | 0.2268 |
| Rwork | 0.224 |
| R-free | 0.25240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.461 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.900 | 2.250 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Number of reflections | 6408 | 485 |
| <I/σ(I)> | 20.5 | |
| Completeness [%] | 98.2 | |
| Redundancy | 17.4 | |
| CC(1/2) | 1.000 | 0.633 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.002 M Copper(II) chloride dihydrate 0.05 M TRIS hydrochloride pH 8.5 1.8 M Lithium sulfate monohydrate 0.0005 M Spermine |
