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 |