6T7K
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 102.999, 102.999, 126.831 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 51.685 - 1.790 |
| R-factor | 0.1718 |
| Rwork | 0.171 |
| R-free | 0.19350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q15 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.184 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.0) |
| Refinement software | PHENIX (1.12) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 89.200 | 89.200 | 1.840 |
| High resolution limit [Å] | 1.790 | 8.010 | 1.790 |
| Rmerge | 0.077 | 0.031 | 1.703 |
| Rmeas | 0.079 | 0.032 | 1.757 |
| Rpim | 0.018 | 0.008 | 0.430 |
| Total number of observations | 1411770 | 16912 | 90086 |
| Number of reflections | 73725 | 936 | 5428 |
| <I/σ(I)> | 18.1 | 68.9 | 1.2 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 19.1 | 18.1 | 16.6 |
| CC(1/2) | 0.996 | 0.981 | 0.843 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 0.1 M Hepes pH 7.5 20% PEG 1000, 2 mM Pro |
