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 |
