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 |