4HWT
Crystal structure of human Threonyl-tRNA synthetase bound to a novel inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Detector technology | CCD |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 73.897, 73.897, 357.587 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.190 - 2.300 |
R-factor | 0.2099 |
Rwork | 0.207 |
R-free | 0.25660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.547 |
Data reduction software | d*TREK (9.9.9.1LDz) |
Data scaling software | d*TREK |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.190 | 42.190 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.094 | 0.049 | 0.303 |
Total number of observations | 30078 | 26623 | |
Number of reflections | 44551 | ||
<I/σ(I)> | 10.5 | 23.5 | 5.3 |
Completeness [%] | 97.9 | 98.7 | 83.2 |
Redundancy | 7.93 | 5.91 | 6.84 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 298 | PEG 3350, sodium citrate, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K |