3TQO
Structure of the cysteinyl-tRNA synthetase (cysS) from Coxiella burnetii.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-03 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 97.632, 97.632, 108.138 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.233 - 2.300 |
| R-factor | 0.211 |
| Rwork | 0.208 |
| R-free | 0.25980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.724 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.072 | 0.054 | 0.238 |
| Number of reflections | 23840 | ||
| <I/σ(I)> | 15.8 | ||
| Completeness [%] | 99.2 | 95.9 | 99.8 |
| Redundancy | 7.3 | 9.4 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop | 293 | 2 M Ammonium sulfate, sitting drop, temperature 293K |
