Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-12-16 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.99987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 23.681, 41.286, 43.294 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.650 - 2.160 |
| R-factor | 0.2002 |
| Rwork | 0.193 |
| R-free | 0.27120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.419 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.650 | 2.240 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.064 | 0.291 |
| Number of reflections | 2516 | 2470 |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 98.3 | |
| Redundancy | 4.4 | |
| CC(1/2) | 0.940 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 0.004M Potassium chloride, 0.006M Sodium chloride, 0.02M Sodium cacodylate trihydrate pH 7.0, 20% (+/-)-2-Methyl-2,4-pentanediol (MPD), 0.006M Spermine tetrahydrochloride |
