1JIJ
Crystal structure of S. aureus TyrRS in complex with SB-239629
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-06-06 |
| Detector | SIEMENS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.090, 98.930, 143.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 3.200 |
| R-factor | 0.257 * |
| Rwork | 0.257 |
| R-free | 0.30500 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.900 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.000 | 3.220 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.108 | 0.288 |
| Total number of observations | 24334 * | |
| Number of reflections | 8399 | |
| <I/σ(I)> | 7.1 | 1.5 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 3 | 3 |
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) |
