6VU9
Crystal structure of threonyl-tRNA synthetase (ThrRS) from Stenotrophomonas maltophilia K279a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 123.070, 163.930, 76.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.800 - 2.200 |
R-factor | 0.192 |
Rwork | 0.190 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hta |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MR-Rosetta |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.800 | 39.800 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.039 | 0.021 | 0.599 |
Rmeas | 0.042 | 0.023 | 0.638 |
Total number of observations | 327591 | ||
Number of reflections | 39658 | 491 | 2876 |
<I/σ(I)> | 28.45 | 75.61 | 2.95 |
Completeness [%] | 99.6 | 95.9 | 99.3 |
Redundancy | 8.26 | 6.466 | 8.427 |
CC(1/2) | 1.000 | 0.999 | 0.952 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 287 | StmaA.00156.a.B1.PW38695 at mg/mL against MCSG1 screen condition C8: 0.2 sodium sulfate, 0.1 M sodium citrate pH 5.6, 20% PEG 4000 supplemented with 15% ethylene glycol as cryoprotectant, unique puck ID ygn6-7, crystal ID 312751c8 |