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 |