36LW
Crystal structure of a Lysine--tRNA ligase (LysRS) from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 19-ID |
| Synchrotron site | NSLS-II |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2026-05-26 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.886, 96.064, 88.001 |
| Unit cell angles | 90.00, 105.76, 90.00 |
Refinement procedure
| Resolution | 48.030 - 1.620 |
| R-factor | 0.1651 |
| Rwork | 0.164 |
| R-free | 0.19090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.748 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_6082) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.030 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.091 | 1.278 |
| Rmeas | 0.098 | 1.375 |
| Rpim | 0.037 | 0.504 |
| Total number of observations | 834515 | 42182 |
| Number of reflections | 118369 | 5746 |
| <I/σ(I)> | 11.6 | 1.6 |
| Completeness [%] | 97.5 | |
| Redundancy | 7.1 | 7.3 |
| CC(1/2) | 0.998 | 0.679 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 100 mM Tris, pH 8.5, 200 mM NaCl, 25% PEG 3350, PsaeA.00612.a.B3.PW39509 at 15 mg/mL. 12A_25-112 drop C12, Puck: PSL-0115, Cryo: 20% PEG200 + 80% crystallant |
