8UCI
Thermophilic RNA Ligase from Palaeococcus pacificus K238G + AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953732 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 80.849, 99.722, 143.073 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.080 - 2.140 |
| R-factor | 0.2067 |
| Rwork | 0.206 |
| R-free | 0.23990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.573 |
| Data reduction software | Zanuda (v7.1) |
| Data scaling software | XDS (v7.1) |
| Phasing software | PHENIX (1.20.1_4487) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.080 | 47.080 |
| High resolution limit [Å] | 2.140 | 2.216 |
| Rmerge | 0.248 | 1.325 |
| Number of reflections | 64482 | 6353 |
| <I/σ(I)> | 11.12 | 2.64 |
| Completeness [%] | 99.9 | 99.95 |
| Redundancy | 13.7 | 14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 200 mM potassium chloride, 50 mM magnesium chloride hexahydrate, 50 mM Tris hydrochloride pH 7.5, 20% w/v polyethylene glycol 4,000 |
