7R6O
Pyrrolysyl-tRNA synthetase from methanogenic archaeon ISO4-G1 (G1PylRS)
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 | 2021-03-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.855, 81.348, 121.845 |
Unit cell angles | 90.00, 102.14, 90.00 |
Refinement procedure
Resolution | 46.560 - 2.200 |
R-factor | 0.2214 |
Rwork | 0.219 |
R-free | 0.26860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jp2 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.464 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.010 | 48.010 | 2.260 |
High resolution limit [Å] | 2.200 | 9.590 | 2.200 |
Rmerge | 0.155 | 0.043 | 2.308 |
Rmeas | 0.168 | 0.046 | 2.490 |
Rpim | 0.063 | 0.017 | 0.929 |
Total number of observations | 401958 | 4973 | 31908 |
Number of reflections | 57200 | 736 | 4473 |
<I/σ(I)> | 6.7 | 21 | 0.9 |
Completeness [%] | 99.9 | 99 | 99.9 |
Redundancy | 7 | 6.8 | 7.1 |
CC(1/2) | 0.998 | 0.999 | 0.341 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 30% w/v PEG 4000, 100mM Tris-HCl (pH 9.0), 200mM lithium sulphate |