6R1N
Crystal structure of S. aureus seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.980 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 94.438, 116.413, 91.611 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.250 - 2.030 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dq3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.611 | 2.061 |
| High resolution limit [Å] | 2.026 | 2.026 |
| Number of reflections | 33080 | |
| <I/σ(I)> | 16.1 | |
| Completeness [%] | 99.8 | |
| Redundancy | 11.8 | |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M sodium malonate pH 5 13 % w/v PEG 3350 |
