1JIK
Crystal structure of S. aureus TyrRS in complex with SB-243545
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-06-06 |
| Detector | SIEMENS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 66.620, 105.380, 140.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.800 |
| R-factor | 0.205 * |
| Rwork | 0.205 |
| R-free | 0.30500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.100 |
| Data reduction software | X-GEN |
| Data scaling software | XDS |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.101 | 0.281 |
| Total number of observations | 18549 * | |
| Number of reflections | 9301 | |
| <I/σ(I)> | 7 | 1.9 |
| Completeness [%] | 83.0 | 77 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.25 | 298 | PEG 1000, CaCl2, pH 7.25, VAPOR DIFFUSION, SITTING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG1000 | 12-15 (M) | |
| 3 | 1 | reservoir | 0.15 (M) | ||
| 4 | 1 | reservoir | imidazole | 0.2 (M) |
