1NJ2
Crystal structure of Prolyl-tRNA Synthetase from Methanothermobacter thermautotrophicus
Experimental procedure
| 実験手法 | 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 |
| 格子定数 [Å] | 145.077, 145.077, 170.359 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 30.000 * - 3.100* |
| R因子 | 0.239 |
| Rwork | 0.239 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Methanocaldococcus janaschii Proline tRNA Synthetase |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.009 |
| 結合角の平均二乗偏差(RMSD) [度] | 22.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 3.210 |
| 分解能 [Å] (高) | 3.100 | 3.100 |
| Rmerge_l_obs | 0.066 | 0.770 |
| 独立反射数 | 35918 | |
| <I/σ(I)> | 22.8 | 2 |
| 完全性 [%] | 99.6 | 99.7 |
| 冗長性 | 4.7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion * | 8.5 * | 12-25 * | Tris, Beta-Mercaptoethanol, MgCl2,NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
文献の結晶化試薬
| ID | 結晶ID | 溶液 | 試薬名 | 濃度 (単位) (単位) | 詳細 |
| 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 |
