8UCF
Thermophilic RNA Ligase from Palaeococcus pacificus K238G
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) | 0.9537 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.950, 96.859, 139.454 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.570 - 1.900 |
| R-factor | 0.1726 |
| Rwork | 0.171 |
| R-free | 0.19660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.887 |
| 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] | 46.570 | 1.926 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.074 | 0.066 |
| Number of reflections | 44026 | 9589 |
| <I/σ(I)> | 25.8 | 4.73 |
| Completeness [%] | 100.0 | 99.89 |
| Redundancy | 13.7 | 14.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | 80 mM potassium chloride, 20 mM magnesium chloride hexahydrate, 40 mM sodium cacodylate trihydrate pH 6.5, 40% v/v (+/-)-2-methyl-2,4-pentanediol |
