8W8J
Crystal structure of bacterial prolyl-tRNA synthetase in complex with inhibitor PAA-19
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.668, 102.380, 193.477 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 96.739 - 1.807 |
Rwork | 0.180 |
R-free | 0.20850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.171 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 96.740 | 1.910 |
High resolution limit [Å] | 1.807 | 1.807 |
Rmerge | 0.058 | 0.416 |
Rmeas | 0.058 | 0.459 |
Number of reflections | 131943 | 16048 |
<I/σ(I)> | 19 | 2.7 |
Completeness [%] | 97.0 | |
Redundancy | 6.2 | |
CC(1/2) | 0.999 | 0.873 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 0.2 M Ammonium sulfate, 0.1 M BIS-TRIS, 25% w/v Polyethylene glycol 3,350 |