1NJ1
Crystal structure of Prolyl-tRNA Synthetase from Methanothermobacter thermautotrophicus bound to cysteine sulfamoyl adenylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-03 |
| Detector | SBC-2 |
| Wavelength(s) | 0.97903 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 143.750, 143.750, 163.890 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.550 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Methanocaldococcus janaschii Proline tRNA Synthetase |
| RMSD bond length | 0.007 |
| RMSD bond angle | 22.600 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.061 | |
| Number of reflections | 33200 | |
| <I/σ(I)> | 48.9 | 2.6 |
| Completeness [%] | 100.0 * | 100 |
| Redundancy | 14.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.5 * | 12-25 * | Tris, Beta-Mercaptoethanol, MgCl2, NaCl, Cysteine sulfamoyl adenylate, 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 |
