1NJ8
Crystal Structure of Prolyl-tRNA Synthetase from Methanocaldococcus janaschii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.943 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 108.940, 104.845, 91.748 |
| Unit cell angles | 90.00, 93.63, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.200 |
| R-factor | 0.2311 |
| Rwork | 0.231 |
| R-free | 0.30100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Thermus Thermophilus Proline tRNA Synthetase |
| RMSD bond length | 0.008 |
| RMSD bond angle | 23.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.102 | 0.380 |
| Number of reflections | 30271 | |
| <I/σ(I)> | 7.9 | 2.2 |
| Completeness [%] | 86.9 | 80.3 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.5 * | 12-25 * | Sodium Acetate, Ammonium Sulfate, PEG 4000, beta-Mercaptoethanol, Tris, Sodium Chloride, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
| 1 | Vapor diffusion * | 8.5 * | 12-25 * | Sodium Acetate, Ammonium Sulfate, PEG 4000, beta-Mercaptoethanol, Tris, Sodium Chloride, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | Tris | 20 (mM) | pH8.5 |
| 3 | 1 | drop | 200 (mM) | ||
| 4 | 1 | drop | 2-mercaptoethanol | 5 (mM) | |
| 5 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 6 | 1 | reservoir | PEG4000 | 20-30 (%) | |
| 7 | 1 | reservoir | 2-mercaptoethanol | 5 (mM) | |
| 8 | 1 | reservoir | 0.1 (M) | pH4.5 |
