1Q41
GSK-3 Beta complexed with Indirubin-3'-monoxime
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 83.438, 86.443, 178.825 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 30.000 * - 2.100 |
| Rwork | 0.229 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h8f |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.012 |
| 結合角の平均二乗偏差(RMSD) [度] | 22.900 * |
| Data scaling software | SCALEPACK |
| Refinement software | CNX (2000) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 2.180 |
| 分解能 [Å] (高) | 2.100 | 2.100 |
| Rmerge_l_obs | 0.060 * | 0.423 * |
| Total number of observations | 334335 * | |
| 独立反射数 | 76152 | |
| <I/σ(I)> | 21.3325 | 3.592 |
| 完全性 [%] | 99.8 | 100 |
| 冗長性 | 4.39 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 * | 20 * | PEG 3350 MONODISPERSE, GLYCEROL, MAGNESIUM CHLORIDE, HEPES, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
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 | 12 (mg/ml) | |
| 2 | 1 | drop | glycerol | 10 (%) | |
| 3 | 1 | drop | 185 (mM) | ||
| 4 | 1 | drop | HEPES | 100 (mM) | pH7.2 |
| 5 | 1 | reservoir | PEG3350 monodisperse | 16-24 (%(w/v)) | |
| 6 | 1 | reservoir | glycerol | 5 (%) | |
| 7 | 1 | reservoir | 20 (mM) | ||
| 8 | 1 | reservoir | HEPES | 100 (mM) | pH7.0 |
