1Q11
Crystal structure of an active fragment of human tyrosyl-tRNA synthetase with tyrosinol
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.28 |
| Spacegroup name | P 21 21 2 |
| 格子定数 [Å] | 75.825, 162.989, 35.267 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 50.000 - 1.600 |
| R因子 | 0.1966 |
| Rwork | 0.197 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n3l mini TyrRS alone |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.004 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 1.660 |
| 分解能 [Å] (高) | 1.600 | 1.600 |
| Rmerge_l_obs | 0.062 | 0.301 |
| 独立反射数 | 55381 * | |
| <I/σ(I)> | 16.2 | 3.8 |
| 完全性 [%] | 93.8 * | 64.5 |
| 冗長性 | 6.7 * |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 * | 4 * | (NH4)2SO4, NAH2PO4, K2HPO4, ACETONE, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 279K |
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 | reservoir | PEG8000 | 2 (%) | |
| 2 | 1 | reservoir | sodium-MES | 0.1 (M) | pH6.32 |
| 3 | 1 | drop | HEPES | 10 (mM) | pH7.5 |
| 4 | 1 | drop | 20 (mM) | ||
| 5 | 1 | drop | 0.02 (%) | ||
| 6 | 1 | drop | 2-mercaptoethanol | 2 (mM) |
