1UU8
Structure of human PDK1 kinase domain in complex with BIM-1
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 | 2003-02-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| 格子定数 [Å] | 122.397, 122.397, 48.016 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 25.000 * - 2.500 |
| R因子 | 0.17642 |
| Rwork | 0.198 |
| R-free | 0.25900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1w |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.010 * |
| 結合角の平均二乗偏差(RMSD) [度] | 1.720 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 25.000 | 2.590 |
| 分解能 [Å] (高) | 2.500 | 2.500 |
| Rmerge_l_obs | 0.089 | 0.549 |
| Total number of observations | 40461 * | |
| 独立反射数 | 13556 | 1105 * |
| <I/σ(I)> | 9.8 | 2 |
| 完全性 [%] | 92.6 | 75.6 |
| 冗長性 | 3.0 * | 2.6 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion, sitting drop * | 7.5 | 2.1 M AMMONIUM SULPHATE, 0.1 M TRIS-HCL PH 7.50 |
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 | ammonium sulfate | 2.1 (M) | |
| 2 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH7.5 |
| 3 | 1 | drop | ethanol | 10 (mM) | |
| 4 | 1 | drop | protein | 6.6 (mg/ml) |
