1PE0
Crystal structure of the K130R mutant of human DJ-1
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9724 |
| Spacegroup name | C 1 2 1 |
| 格子定数 [Å] | 77.706, 78.173, 63.819 |
| 格子定数 [度] | 90.00, 108.88, 90.00 |
精密化法
| 残基 | 20.000 * - 1.700 |
| R因子 | 0.191 |
| Rwork | 0.191 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.005 |
| 結合角の平均二乗偏差(RMSD) [度] | 22.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO |
| Refinement software | CNS (1.1) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 20.000 | 1.760 |
| 分解能 [Å] (高) | 1.700 | 1.700 |
| Rmerge_l_obs | 0.065 | 0.264 |
| Total number of observations | 112333 * | |
| 独立反射数 | 39841 | |
| 完全性 [%] | 97.8 | 82.2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion * | 8 * | 4 * | 20% PEG3350, 100 mM Bis-tris(7.0), 50 mM CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
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 | Tris | 100 (mM) | pH8.0 |
| 2 | 1 | reservoir | PEG3350 | 10-12 (%(w/v)) | |
| 3 | 1 | drop | protein | 15 (mg/ml) | |
| 4 | 1 | drop | Tris | 30 (mM) | pH8.0 |
