1NYQ
Structure of Staphylococcus aureus threonyl-tRNA synthetase complexed with an analogue of threonyl adenylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-07-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9310 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 104.278, 122.730, 149.941 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 3.200 |
| R-factor | 0.213 |
| Rwork | 0.205 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | St. aureus threonyl-tRNA synthetase with ATP |
| RMSD bond length | 0.012 |
| RMSD bond angle | 23.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.051 | 0.289 |
| Total number of observations | 125027 * | |
| Number of reflections | 32055 | 3183 * |
| <I/σ(I)> | 18.6 | 4.4 |
| Completeness [%] | 98.2 | 99.6 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 * | 4 * | PEG 8000, Tris.Cl, potassium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | HEPES | 20 (mM) | pH7.2 |
| 3 | 1 | drop | 2 (mM) | ||
| 4 | 1 | drop | 100 (mM) | ||
| 5 | 1 | reservoir | PEG8000 | 12-14 (%(w/v)) | |
| 6 | 1 | reservoir | Tris-HCl | 50 (mM) | pH7.5-8.5 |
| 7 | 1 | reservoir | ammonium acetate | 0.2-0.4 (M) | or KCl |
