1JIL
Crystal structure of S. aureus TyrRS in complex with SB284485
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-06-15 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 66.000, 102.900, 139.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 2.200 |
| R-factor | 0.183 * |
| Rwork | 0.183 |
| R-free | 0.22100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1jik |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.066 | 0.149 |
| Total number of observations | 83183 * | |
| Number of reflections | 23968 | |
| <I/σ(I)> | 16.9 | 3.3 |
| Completeness [%] | 97.0 | 69 |
| 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) |
