9CLL
Plasmodium falciparum tyrosyl-tRNA synthetase in complex with ML471-Tyr
This is a non-PDB format compatible entry.
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 | 2024-06-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.208, 47.271, 140.512 |
| Unit cell angles | 90.00, 94.63, 90.00 |
Refinement procedure
| Resolution | 46.680 - 1.800 |
| R-factor | 0.1848 |
| Rwork | 0.183 |
| R-free | 0.21980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.503 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1.5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.680 | 1.820 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 84432 | 4481 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.998 | 0.838 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.5M sodium malonate, pH 6 |
