7QC2
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline-tRNA ligase) from Plasmodium falciparum in complex with MAT334 and L-Proline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-25 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 103.500, 103.500, 127.510 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 51.950 - 2.280 |
R-factor | 0.2289 |
Rwork | 0.228 |
R-free | 0.25280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6t7k |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.0) |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.950 | 51.950 | 2.340 |
High resolution limit [Å] | 2.280 | 10.200 | 2.280 |
Rmerge | 0.062 | 0.026 | 1.652 |
Rmeas | 0.065 | 0.028 | 1.741 |
Rpim | 0.020 | 0.009 | 0.544 |
Total number of observations | 372214 | 4149 | 27128 |
Number of reflections | 36445 | 476 | 2662 |
<I/σ(I)> | 18.4 | 57.9 | 1.3 |
Completeness [%] | 99.6 | 99.3 | 99.2 |
Redundancy | 10.2 | 8.7 | 10.2 |
CC(1/2) | 1.000 | 0.999 | 0.707 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 0.2 M L-Pro, 10 % PEG3350, 0.1 M Hepes |