8JE6
Crystal Structure of Anopheles culicifacies Prolyl-tRNA Synthetase (AcPRS) in complex with Halofuginone and ATP analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-18 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.978, 69.798, 106.839 |
| Unit cell angles | 90.00, 105.39, 90.00 |
Refinement procedure
| Resolution | 78.072 - 2.883 |
| R-factor | 0.202 |
| Rwork | 0.198 |
| R-free | 0.27890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7f9a |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.297 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.15rc1_3423: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.072 | 2.930 |
| High resolution limit [Å] | 2.880 | 2.880 |
| Rmeas | 2.625 | 0.342 |
| Number of reflections | 26195 | 1271 |
| <I/σ(I)> | 6 | 0.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.4 | 6.3 |
| CC(1/2) | 1.000 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | Morpheus III-C12: 1% Nucleosides mix, 0.1 M Buffer System 3 and 37.5% Precipitant Mix 4. |
