1NJ2
Crystal structure of Prolyl-tRNA Synthetase from Methanothermobacter thermautotrophicus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-12-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.94500 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 145.077, 145.077, 170.359 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 * - 3.100* |
| R-factor | 0.239 |
| Rwork | 0.239 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Methanocaldococcus janaschii Proline tRNA Synthetase |
| RMSD bond length | 0.009 |
| RMSD bond angle | 22.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.066 | 0.770 |
| Number of reflections | 35918 | |
| <I/σ(I)> | 22.8 | 2 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.5 * | 12-25 * | Tris, Beta-Mercaptoethanol, MgCl2,NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
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 |
