8UCE
Thermophilic RNA Ligase from Palaeococcus pacificus + 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 | 2022-05-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953725 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 81.216, 98.799, 142.977 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.930 - 2.120 |
| R-factor | 0.1908 |
| Rwork | 0.189 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.860 |
| Data reduction software | Zanuda (v7.1) |
| Data scaling software | XDS (v7.1) |
| Phasing software | PHENIX (1.19.2_4158) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.930 | 47.660 |
| High resolution limit [Å] | 2.120 | 2.150 |
| Rmerge | 0.146 | 1.275 |
| Number of reflections | 65953 | 6536 |
| <I/σ(I)> | 14.53 | 3.36 |
| Completeness [%] | 93.2 | 84.44 |
| Redundancy | 13.6 | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291.15 | 80 mM strontium chloride hexahydrate, 20 mM magnesium chloride hexahydrate, 40 mM sodium cacodylate trihydrate pH 7.0, 20% v/v (+/-)-2-methyl-2,4-pentanediol, 12 mM spermine tetrahydrochloride |
