2XCH
Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-27 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| 格子定数 [Å] | 122.886, 122.886, 47.249 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 30.000 - 2.000 |
| R因子 | 0.19061 |
| Rwork | 0.189 |
| R-free | 0.22567 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1w |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.014 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.468 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 2.100 |
| 分解能 [Å] (高) | 2.000 | 2.000 |
| Rmerge_l_obs | 0.080 | 0.390 |
| 独立反射数 | 27886 | |
| <I/σ(I)> | 9.8 | |
| 完全性 [%] | 99.7 | 99.4 |
| 冗長性 | 4.5 | 4 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 2.0 M AMMONIUM SULFATE,0.1 M TRIS PH8.5 |
