8W9I
Crystal structure of bacterial prolyl-tRNA synthetase in complex with inhibitor PAA-5
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 | 2019-05-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.584, 102.622, 194.084 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.656 - 2.450 |
Rwork | 0.214 |
R-free | 0.24840 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.811 |
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] | 97.050 | 2.390 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.126 | 0.911 |
Number of reflections | 55512 | 5949 |
<I/σ(I)> | 12.6 | |
Completeness [%] | 99.0 | 89.2 |
Redundancy | 6.4 | |
CC(1/2) | 0.963 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 0.2 M ammonium acetate, 0.1 M BIS-TRIS, 26% PEG 3,350 |