1NYR
Structure of Staphylococcus aureus threonyl-tRNA synthetase complexed with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-11-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9797 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 104.130, 122.521, 148.661 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.800 |
| R-factor | 0.239 |
| Rwork | 0.239 |
| R-free | 0.31300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qf6 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 23.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.036 | 0.290 |
| Total number of observations | 160435 * | |
| Number of reflections | 46973 | 2998 * |
| <I/σ(I)> | 19.1 | 3.8 |
| Completeness [%] | 98.3 | 95.7 |
| Redundancy | 3.4 |
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 |
